Hmdb loader
You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:49 UTC
Update Date2022-03-07 02:51:40 UTC
HMDB IDHMDB0014588
Secondary Accession Numbers
  • HMDB14588
Metabolite Identification
Common NameEpirubicin
DescriptionEpirubicin is only found in individuals that have used or taken this drug. It is an anthracycline which is the 4'-epi-isomer of doxorubicin. The compound exerts its antitumor effects by interference with the synthesis and function of DNA. [PubChem]Epirubicin has antimitotic and cytotoxic activity. It inhibits nucleic acid (DNA and RNA) and protein synthesis through a number of proposed mechanisms of action: Epirubicin forms complexes with DNA by intercalation between base pairs, and it inhibits topoisomerase II activity by stabilizing the DNA-topoisomerase II complex, preventing the religation portion of the ligation-religation reaction that topoisomerase II catalyzes. It also interferes with DNA replication and transcription by inhibiting DNA helicase activity.
Structure
Data?1582753196
Synonyms
ValueSource
4'-EpiadriamycinChEBI
EpiadriamycinChEBI
EpirubicinaChEBI
EpirubicineChEBI
EpirubicinumChEBI
PidorubicinaChEBI
PidorubicineChEBI
PidorubicinumChEBI
FarmorubicinKegg
EllenceHMDB
FarmorubicineHMDB
IMI 28HMDB
IMI28HMDB
Lemery brand OF epirubicin hydrochlorideHMDB
PharmorubicinHMDB
Cell pharm brand OF epirubicinHMDB
4' Epi adriamycinHMDB
4' Epi DXRHMDB
4' EpiadriamycinHMDB
4' EpidoxorubicinHMDB
4'-Epi-adriamycinHMDB
4'-Epi-doxorubicinHMDB
EPIcellHMDB
FarmorubicinaHMDB
4'-EpidoxorubicinHMDB
EPI cellHMDB
Hydrochloride, epirubicinHMDB
IMI-28HMDB
4' Epi doxorubicinHMDB
4'-Epi-DXRHMDB
EPI-cellHMDB
EpilemHMDB
Epirubicin hydrochlorideHMDB
Kenfarma brand OF epirubicin hydrochlorideHMDB
Pfizer brand OF epirubicin hydrochlorideHMDB
EpirubicinChEBI
Chemical FormulaC27H29NO11
Average Molecular Weight543.5193
Monoisotopic Molecular Weight543.174060775
IUPAC Name(8S,10S)-10-{[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
Traditional Nameepirubicin
CAS Registry Number56420-45-2
SMILES
COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O
InChI Identifier
InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1
InChI KeyAOJJSUZBOXZQNB-VTZDEGQISA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassAnthracyclines
Sub ClassNot Available
Direct ParentAnthracyclines
Alternative Parents
Substituents
  • Anthracycline
  • Anthracyclinone-skeleton
  • Aminoglycoside core
  • Tetracenequinone
  • 9,10-anthraquinone
  • 1,4-anthraquinone
  • Anthracene
  • Hexose monosaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Tetralin
  • Aryl ketone
  • Anisole
  • Amino saccharide
  • Alkyl aryl ether
  • Benzenoid
  • Oxane
  • Monosaccharide
  • Vinylogous acid
  • Tertiary alcohol
  • Alpha-hydroxy ketone
  • Secondary alcohol
  • 1,2-aminoalcohol
  • Ketone
  • Acetal
  • Organoheterocyclic compound
  • Polyol
  • Ether
  • Oxacycle
  • Alcohol
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organooxygen compound
  • Organic nitrogen compound
  • Amine
  • Primary amine
  • Primary alcohol
  • Primary aliphatic amine
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Process
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point344.53 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility1.18 g/LNot Available
LogP-0.5Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.18 g/LALOGPS
logP1.41ALOGPS
logP0.92ChemAxon
logS-2.7ALOGPS
pKa (Strongest Acidic)9.53ChemAxon
pKa (Strongest Basic)8.94ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area206.07 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity134.59 m³·mol⁻¹ChemAxon
Polarizability53.88 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+221.96431661259
DarkChem[M-H]-217.94831661259
DeepCCS[M+H]+219.24930932474
DeepCCS[M-H]-217.42430932474
DeepCCS[M-2H]-251.00430932474
DeepCCS[M+Na]+224.85530932474
AllCCS[M+H]+222.732859911
AllCCS[M+H-H2O]+221.132859911
AllCCS[M+NH4]+224.232859911
AllCCS[M+Na]+224.632859911
AllCCS[M-H]-222.032859911
AllCCS[M+Na-2H]-223.632859911
AllCCS[M+HCOO]-225.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
EpirubicinCOC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O4544.9Standard polar33892256
EpirubicinCOC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O4387.7Standard non polar33892256
EpirubicinCOC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O4769.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Epirubicin,1TMS,isomer #1COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4420.9Semi standard non polar33892256
Epirubicin,1TMS,isomer #2COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4422.5Semi standard non polar33892256
Epirubicin,1TMS,isomer #3COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4401.2Semi standard non polar33892256
Epirubicin,1TMS,isomer #4COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4372.1Semi standard non polar33892256
Epirubicin,1TMS,isomer #5COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4443.1Semi standard non polar33892256
Epirubicin,1TMS,isomer #6COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4428.9Semi standard non polar33892256
Epirubicin,1TMS,isomer #7COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4396.0Semi standard non polar33892256
Epirubicin,2TMS,isomer #1COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4345.1Semi standard non polar33892256
Epirubicin,2TMS,isomer #10COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4335.6Semi standard non polar33892256
Epirubicin,2TMS,isomer #11COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4290.5Semi standard non polar33892256
Epirubicin,2TMS,isomer #12COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4336.5Semi standard non polar33892256
Epirubicin,2TMS,isomer #13COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4284.8Semi standard non polar33892256
Epirubicin,2TMS,isomer #14COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4294.2Semi standard non polar33892256
Epirubicin,2TMS,isomer #15COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4294.6Semi standard non polar33892256
Epirubicin,2TMS,isomer #16COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4301.5Semi standard non polar33892256
Epirubicin,2TMS,isomer #17COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4314.4Semi standard non polar33892256
Epirubicin,2TMS,isomer #18COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4253.2Semi standard non polar33892256
Epirubicin,2TMS,isomer #19COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4310.3Semi standard non polar33892256
Epirubicin,2TMS,isomer #2COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4328.0Semi standard non polar33892256
Epirubicin,2TMS,isomer #20COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4321.3Semi standard non polar33892256
Epirubicin,2TMS,isomer #21COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4325.6Semi standard non polar33892256
Epirubicin,2TMS,isomer #22COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4389.0Semi standard non polar33892256
Epirubicin,2TMS,isomer #3COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4292.8Semi standard non polar33892256
Epirubicin,2TMS,isomer #4COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4329.9Semi standard non polar33892256
Epirubicin,2TMS,isomer #5COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4297.8Semi standard non polar33892256
Epirubicin,2TMS,isomer #6COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4308.1Semi standard non polar33892256
Epirubicin,2TMS,isomer #7COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4335.8Semi standard non polar33892256
Epirubicin,2TMS,isomer #8COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4292.7Semi standard non polar33892256
Epirubicin,2TMS,isomer #9COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4310.2Semi standard non polar33892256
Epirubicin,3TMS,isomer #1COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4262.1Semi standard non polar33892256
Epirubicin,3TMS,isomer #10COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4220.2Semi standard non polar33892256
Epirubicin,3TMS,isomer #11COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4207.0Semi standard non polar33892256
Epirubicin,3TMS,isomer #12COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4207.6Semi standard non polar33892256
Epirubicin,3TMS,isomer #13COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4206.0Semi standard non polar33892256
Epirubicin,3TMS,isomer #14COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4252.2Semi standard non polar33892256
Epirubicin,3TMS,isomer #15COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4243.0Semi standard non polar33892256
Epirubicin,3TMS,isomer #16COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4299.4Semi standard non polar33892256
Epirubicin,3TMS,isomer #17COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4241.6Semi standard non polar33892256
Epirubicin,3TMS,isomer #18COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4246.1Semi standard non polar33892256
Epirubicin,3TMS,isomer #19COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4235.2Semi standard non polar33892256
Epirubicin,3TMS,isomer #2COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4229.9Semi standard non polar33892256
Epirubicin,3TMS,isomer #20COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4237.7Semi standard non polar33892256
Epirubicin,3TMS,isomer #21COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4213.4Semi standard non polar33892256
Epirubicin,3TMS,isomer #22COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4220.7Semi standard non polar33892256
Epirubicin,3TMS,isomer #23COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4191.5Semi standard non polar33892256
Epirubicin,3TMS,isomer #24COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4209.0Semi standard non polar33892256
Epirubicin,3TMS,isomer #25COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4216.5Semi standard non polar33892256
Epirubicin,3TMS,isomer #26COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4255.7Semi standard non polar33892256
Epirubicin,3TMS,isomer #27COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4295.1Semi standard non polar33892256
Epirubicin,3TMS,isomer #28COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4224.4Semi standard non polar33892256
Epirubicin,3TMS,isomer #29COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4211.1Semi standard non polar33892256
Epirubicin,3TMS,isomer #3COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4266.8Semi standard non polar33892256
Epirubicin,3TMS,isomer #30COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4245.9Semi standard non polar33892256
Epirubicin,3TMS,isomer #31COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4215.4Semi standard non polar33892256
Epirubicin,3TMS,isomer #32COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4189.2Semi standard non polar33892256
Epirubicin,3TMS,isomer #33COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4225.9Semi standard non polar33892256
Epirubicin,3TMS,isomer #34COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4295.1Semi standard non polar33892256
Epirubicin,3TMS,isomer #35COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4223.4Semi standard non polar33892256
Epirubicin,3TMS,isomer #36COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4211.5Semi standard non polar33892256
Epirubicin,3TMS,isomer #37COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4225.6Semi standard non polar33892256
Epirubicin,3TMS,isomer #38COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4259.1Semi standard non polar33892256
Epirubicin,3TMS,isomer #39COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4248.6Semi standard non polar33892256
Epirubicin,3TMS,isomer #4COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4201.5Semi standard non polar33892256
Epirubicin,3TMS,isomer #40COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4305.5Semi standard non polar33892256
Epirubicin,3TMS,isomer #41COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4321.7Semi standard non polar33892256
Epirubicin,3TMS,isomer #5COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4266.9Semi standard non polar33892256
Epirubicin,3TMS,isomer #6COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4232.6Semi standard non polar33892256
Epirubicin,3TMS,isomer #7COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4249.8Semi standard non polar33892256
Epirubicin,3TMS,isomer #8COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O[Si](C)(C)C)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4228.7Semi standard non polar33892256
Epirubicin,3TMS,isomer #9COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4244.6Semi standard non polar33892256
Epirubicin,4TMS,isomer #1COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4184.0Semi standard non polar33892256
Epirubicin,4TMS,isomer #10COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4196.6Semi standard non polar33892256
Epirubicin,4TMS,isomer #11COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4250.7Semi standard non polar33892256
Epirubicin,4TMS,isomer #12COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4180.6Semi standard non polar33892256
Epirubicin,4TMS,isomer #13COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O[Si](C)(C)C)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4155.7Semi standard non polar33892256
Epirubicin,4TMS,isomer #14COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4192.3Semi standard non polar33892256
Epirubicin,4TMS,isomer #15COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O[Si](C)(C)C)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4156.1Semi standard non polar33892256
Epirubicin,4TMS,isomer #16COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4196.2Semi standard non polar33892256
Epirubicin,4TMS,isomer #17COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O[Si](C)(C)C)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4219.4Semi standard non polar33892256
Epirubicin,4TMS,isomer #18COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4261.5Semi standard non polar33892256
Epirubicin,4TMS,isomer #19COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4150.2Semi standard non polar33892256
Epirubicin,4TMS,isomer #2COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4187.3Semi standard non polar33892256
Epirubicin,4TMS,isomer #20COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4180.4Semi standard non polar33892256
Epirubicin,4TMS,isomer #21COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4184.1Semi standard non polar33892256
Epirubicin,4TMS,isomer #22COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4230.5Semi standard non polar33892256
Epirubicin,4TMS,isomer #23COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4188.5Semi standard non polar33892256
Epirubicin,4TMS,isomer #24COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4267.6Semi standard non polar33892256
Epirubicin,4TMS,isomer #25COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4267.8Semi standard non polar33892256
Epirubicin,4TMS,isomer #26COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4178.3Semi standard non polar33892256
Epirubicin,4TMS,isomer #27COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4172.8Semi standard non polar33892256
Epirubicin,4TMS,isomer #28COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4192.5Semi standard non polar33892256
Epirubicin,4TMS,isomer #29COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4164.7Semi standard non polar33892256
Epirubicin,4TMS,isomer #3COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O[Si](C)(C)C)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4160.8Semi standard non polar33892256
Epirubicin,4TMS,isomer #30COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4185.8Semi standard non polar33892256
Epirubicin,4TMS,isomer #31COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4219.2Semi standard non polar33892256
Epirubicin,4TMS,isomer #32COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4263.3Semi standard non polar33892256
Epirubicin,4TMS,isomer #33COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4146.6Semi standard non polar33892256
Epirubicin,4TMS,isomer #34COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4149.5Semi standard non polar33892256
Epirubicin,4TMS,isomer #35COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4178.1Semi standard non polar33892256
Epirubicin,4TMS,isomer #36COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4244.7Semi standard non polar33892256
Epirubicin,4TMS,isomer #37COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4184.2Semi standard non polar33892256
Epirubicin,4TMS,isomer #38COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4256.0Semi standard non polar33892256
Epirubicin,4TMS,isomer #39COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4288.1Semi standard non polar33892256
Epirubicin,4TMS,isomer #4COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O[Si](C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4218.0Semi standard non polar33892256
Epirubicin,4TMS,isomer #40COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4158.5Semi standard non polar33892256
Epirubicin,4TMS,isomer #41COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4176.6Semi standard non polar33892256
Epirubicin,4TMS,isomer #42COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4195.7Semi standard non polar33892256
Epirubicin,4TMS,isomer #43COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4266.3Semi standard non polar33892256
Epirubicin,4TMS,isomer #44COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4161.3Semi standard non polar33892256
Epirubicin,4TMS,isomer #45COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4226.4Semi standard non polar33892256
Epirubicin,4TMS,isomer #46COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O)=C1C2=O4267.7Semi standard non polar33892256
Epirubicin,4TMS,isomer #47COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4186.7Semi standard non polar33892256
Epirubicin,4TMS,isomer #48COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4241.7Semi standard non polar33892256
Epirubicin,4TMS,isomer #49COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4268.3Semi standard non polar33892256
Epirubicin,4TMS,isomer #5COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4167.9Semi standard non polar33892256
Epirubicin,4TMS,isomer #50COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4278.2Semi standard non polar33892256
Epirubicin,4TMS,isomer #6COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4124.3Semi standard non polar33892256
Epirubicin,4TMS,isomer #7COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4194.3Semi standard non polar33892256
Epirubicin,4TMS,isomer #8COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4138.8Semi standard non polar33892256
Epirubicin,4TMS,isomer #9COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](C)O3)C(O[Si](C)(C)C)=C1C2=O4213.6Semi standard non polar33892256
Epirubicin,1TBDMS,isomer #1COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4637.4Semi standard non polar33892256
Epirubicin,1TBDMS,isomer #2COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4627.2Semi standard non polar33892256
Epirubicin,1TBDMS,isomer #3COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O3)C(O)=C1C2=O4606.6Semi standard non polar33892256
Epirubicin,1TBDMS,isomer #4COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4627.4Semi standard non polar33892256
Epirubicin,1TBDMS,isomer #5COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O4663.1Semi standard non polar33892256
Epirubicin,1TBDMS,isomer #6COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4624.7Semi standard non polar33892256
Epirubicin,1TBDMS,isomer #7COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4631.4Semi standard non polar33892256
Epirubicin,2TBDMS,isomer #1COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O4787.7Semi standard non polar33892256
Epirubicin,2TBDMS,isomer #10COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C(C)(C)C)(C(=CO)O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4737.8Semi standard non polar33892256
Epirubicin,2TBDMS,isomer #11COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4748.7Semi standard non polar33892256
Epirubicin,2TBDMS,isomer #12COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O4782.3Semi standard non polar33892256
Epirubicin,2TBDMS,isomer #13COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O3)C(O)=C1C2=O4766.4Semi standard non polar33892256
Epirubicin,2TBDMS,isomer #14COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O3)C(O)=C1C2=O4739.7Semi standard non polar33892256
Epirubicin,2TBDMS,isomer #15COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O3)C(O)=C1C2=O4731.9Semi standard non polar33892256
Epirubicin,2TBDMS,isomer #16COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O4784.4Semi standard non polar33892256
Epirubicin,2TBDMS,isomer #17COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4741.6Semi standard non polar33892256
Epirubicin,2TBDMS,isomer #18COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4753.0Semi standard non polar33892256
Epirubicin,2TBDMS,isomer #19COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O4753.8Semi standard non polar33892256
Epirubicin,2TBDMS,isomer #2COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4768.5Semi standard non polar33892256
Epirubicin,2TBDMS,isomer #20COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O4778.1Semi standard non polar33892256
Epirubicin,2TBDMS,isomer #21COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4752.5Semi standard non polar33892256
Epirubicin,2TBDMS,isomer #22COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4822.5Semi standard non polar33892256
Epirubicin,2TBDMS,isomer #3COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4754.4Semi standard non polar33892256
Epirubicin,2TBDMS,isomer #4COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O3)C(O)=C1C2=O4758.6Semi standard non polar33892256
Epirubicin,2TBDMS,isomer #5COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4730.2Semi standard non polar33892256
Epirubicin,2TBDMS,isomer #6COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4759.1Semi standard non polar33892256
Epirubicin,2TBDMS,isomer #7COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O4780.7Semi standard non polar33892256
Epirubicin,2TBDMS,isomer #8COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)CO[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4770.3Semi standard non polar33892256
Epirubicin,2TBDMS,isomer #9COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O3)C(O)=C1C2=O4756.5Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #1COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O4886.3Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #10COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O3)C(O)=C1C2=O4877.5Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #11COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(C[C@@](O)(C(=CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4827.6Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #12COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4877.3Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #13COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O3)C(O)=C1C2=O4819.1Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #14COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O3)C(O)=C1C2=O4837.1Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #15COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4814.5Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #16COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4961.4Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #17COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)CO[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O4923.7Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #18COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O4914.4Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #19COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C(C)(C)C)(C(=CO)O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O4869.9Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #2COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O4867.4Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #20COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O4892.1Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #21COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)CO[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O3)C(O)=C1C2=O4918.6Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #22COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C(C)(C)C)(C(=CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4860.7Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #23COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)CO[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4894.1Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #24COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C(C)(C)C)(C(=CO)O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O3)C(O)=C1C2=O4867.4Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #25COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O3)C(O)=C1C2=O4871.5Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #26COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C(C)(C)C)(C(=CO)O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4851.1Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #27COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4943.0Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #28COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O4915.3Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #29COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O4845.0Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #3COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O4858.9Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #30COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O4867.7Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #31COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O3)C(O)=C1C2=O4855.0Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #32COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O3)C(O)=C1C2=O4881.1Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #33COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O3)C(O)=C1C2=O4819.4Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #34COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O3)C(O)=C1C2=O4957.9Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #35COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O4857.4Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #36COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O4904.4Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #37COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4860.9Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #38COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4952.8Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #39COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O4840.7Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #4COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O4817.2Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #40COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O4975.1Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #41COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=CO)O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4965.5Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #5COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O4858.3Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #6COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)CO[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4901.9Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #7COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O3)C(O)=C1C2=O4893.7Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #8COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(C[C@@](O[Si](C)(C)C(C)(C)C)(C(=CO)O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4849.5Semi standard non polar33892256
Epirubicin,3TBDMS,isomer #9COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](C)O3)C(O)=C1C2=O4878.1Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Epirubicin GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a4i-9100210000-2b807cbc2c92b3239ce22017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epirubicin GC-MS (2 TMS) - 70eV, Positivesplash10-0ff0-9800335000-532e07e67052472065102017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epirubicin GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epirubicin GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epirubicin GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epirubicin GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epirubicin GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epirubicin GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epirubicin GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epirubicin GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epirubicin GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epirubicin GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epirubicin GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epirubicin GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epirubicin GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epirubicin GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epirubicin GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epirubicin GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epirubicin GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epirubicin GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epirubicin GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epirubicin GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epirubicin GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epirubicin GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epirubicin GC-MS (TMS_2_17) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Epirubicin LC-ESI-qTof , Positive-QTOFsplash10-0002-0309010000-24e2012ac5fb139c1f972017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Epirubicin , positive-QTOFsplash10-0002-0309010000-24e2012ac5fb139c1f972017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Epirubicin 35V, Positive-QTOFsplash10-03ka-1209000000-c2af8c9285b9bdd054152021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Epirubicin 35V, Negative-QTOFsplash10-002b-0009000000-f5988cefa7b2daf5f1512021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epirubicin 10V, Positive-QTOFsplash10-00ov-0005390000-f948ee4b89881c04094f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epirubicin 20V, Positive-QTOFsplash10-00l2-1319310000-6809908c73812c7294b02016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epirubicin 40V, Positive-QTOFsplash10-0pea-4109100000-aa6428ee7c0e41ed2d972016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epirubicin 10V, Negative-QTOFsplash10-01ox-0002390000-1d86ac1de2afc3f4ce0d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epirubicin 20V, Negative-QTOFsplash10-08fv-5209740000-2da58c964c8e55c74f5e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epirubicin 40V, Negative-QTOFsplash10-08fr-7207900000-9dd3041a50cddfad58dc2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epirubicin 10V, Negative-QTOFsplash10-000t-0009000000-c2261d7295031ec8b1a32021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epirubicin 20V, Negative-QTOFsplash10-00kr-0009000000-c0d23b7b41211d5bcf7d2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epirubicin 40V, Negative-QTOFsplash10-0006-1009230000-adab49e4224b716b7c2f2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epirubicin 10V, Positive-QTOFsplash10-004j-0409070000-1f754ac056625a678f5e2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epirubicin 20V, Positive-QTOFsplash10-01u1-2619140000-93871ebd236804cb7e032021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epirubicin 40V, Positive-QTOFsplash10-03e9-4910200000-64c8902380be8a1fd1832021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00445 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00445 details
Abnormal Concentrations
Not Available
Predicted Concentrations
BiospecimenValueOriginal ageOriginal sexOriginal conditionComments
Blood0.000 uMAdult (>18 years old)BothNormalPredicted based on drug qualities
Blood0.000 umol/mmol creatinineAdult (>18 years old)BothNormalPredicted based on drug qualities
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB00445
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID38201
KEGG Compound IDC11230
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkEpirubicin
METLIN IDNot Available
PubChem Compound41867
PDB IDNot Available
ChEBI ID47898
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Pharmacia. Ellence® (epirubicin hydrochloride injection) full prescribing information. New York, NY; 2007 Feb. . .

Enzymes

General function:
Involved in metabolic process
Specific function:
Selectively hydrolyzes arachidonyl phospholipids in the sn-2 position releasing arachidonic acid. Together with its lysophospholipid activity, it is implicated in the initiation of the inflammatory response.
Gene Name:
PLA2G4A
Uniprot ID:
P47712
Molecular weight:
85210.19
References
  1. Grataroli R, Leonardi J, Chautan M, Lafont H, Nalbone G: Effect of anthracyclines on phospholipase A2 activity and prostaglandin E2 production in rat gastric mucosa. Biochem Pharmacol. 1993 Aug 3;46(3):349-55. [PubMed:8347160 ]
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. Its unique specificity for 3,4-catechol estrogens and estriol suggests it may play an important role in regulating the level and activity of these potent and active estrogen metabolites. Is also active with androsterone, hyodeoxycholic acid and tetrachlorocatechol (in vitro).
Gene Name:
UGT2B7
Uniprot ID:
P16662
Molecular weight:
60720.15
References
  1. Innocenti F, Iyer L, Ramirez J, Green MD, Ratain MJ: Epirubicin glucuronidation is catalyzed by human UDP-glucuronosyltransferase 2B7. Drug Metab Dispos. 2001 May;29(5):686-92. [PubMed:11302935 ]
  2. Zaya MJ, Hines RN, Stevens JC: Epirubicin glucuronidation and UGT2B7 developmental expression. Drug Metab Dispos. 2006 Dec;34(12):2097-101. Epub 2006 Sep 19. [PubMed:16985101 ]
General function:
Involved in sequence-specific DNA binding transcription factor activity
Specific function:
Control of topological states of DNA by transient breakage and subsequent rejoining of DNA strands. Topoisomerase II makes double-strand breaks
Gene Name:
TOP2A
Uniprot ID:
P11388
Molecular weight:
174383.9
References
  1. Petit T, Wilt M, Velten M, Millon R, Rodier JF, Borel C, Mors R, Haegele P, Eber M, Ghnassia JP: Comparative value of tumour grade, hormonal receptors, Ki-67, HER-2 and topoisomerase II alpha status as predictive markers in breast cancer patients treated with neoadjuvant anthracycline-based chemotherapy. Eur J Cancer. 2004 Jan;40(2):205-11. [PubMed:14728934 ]
  2. Knoop AS, Knudsen H, Balslev E, Rasmussen BB, Overgaard J, Nielsen KV, Schonau A, Gunnarsdottir K, Olsen KE, Mouridsen H, Ejlertsen B: retrospective analysis of topoisomerase IIa amplifications and deletions as predictive markers in primary breast cancer patients randomly assigned to cyclophosphamide, methotrexate, and fluorouracil or cyclophosphamide, epirubicin, and fluorouracil: Danish Breast Cancer Cooperative Group. J Clin Oncol. 2005 Oct 20;23(30):7483-90. [PubMed:16234514 ]
  3. Liang CH, Shiu LY, Chang LC, Sheu HM, Kuo KW: Solamargine upregulation of Fas, downregulation of HER2, and enhancement of cytotoxicity using epirubicin in NSCLC cells. Mol Nutr Food Res. 2007 Aug;51(8):999-1005. [PubMed:17639997 ]

Transporters

General function:
Involved in ATP binding
Specific function:
Mediates export of organic anions and drugs from the cytoplasm. Mediates ATP-dependent transport of glutathione and glutathione conjugates, leukotriene C4, estradiol-17-beta-o- glucuronide, methotrexate, antiviral drugs and other xenobiotics. Confers resistance to anticancer drugs. Hydrolyzes ATP with low efficiency
Gene Name:
ABCC1
Uniprot ID:
P33527
Molecular weight:
171589.5
References
  1. Godinot N, Iversen PW, Tabas L, Xia X, Williams DC, Dantzig AH, Perry WL 3rd: Cloning and functional characterization of the multidrug resistance-associated protein (MRP1/ABCC1) from the cynomolgus monkey. Mol Cancer Ther. 2003 Mar;2(3):307-16. [PubMed:12657726 ]
  2. Nunoya K, Grant CE, Zhang D, Cole SP, Deeley RG: Molecular cloning and pharmacological characterization of rat multidrug resistance protein 1 (mrp1). Drug Metab Dispos. 2003 Aug;31(8):1016-26. [PubMed:12867490 ]
  3. Stride BD, Grant CE, Loe DW, Hipfner DR, Cole SP, Deeley RG: Pharmacological characterization of the murine and human orthologs of multidrug-resistance protein in transfected human embryonic kidney cells. Mol Pharmacol. 1997 Sep;52(3):344-53. [PubMed:9281595 ]