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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:39:18 UTC
Update Date2022-03-07 02:52:43 UTC
HMDB IDHMDB0030832
Secondary Accession Numbers
  • HMDB30832
Metabolite Identification
Common NameAmentoflavone
DescriptionAmentoflavone, also known as 3',8''-biapigenin, belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''. Thus, amentoflavone is considered to be a flavonoid. Amentoflavone is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on Amentoflavone.
Structure
Data?1563862045
Synonyms
ValueSource
3',8''-BiapigeninChEBI
8-(5-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-oneChEBI
Didemethyl-ginkgetinChEBI
3',8-Bi[4',5,7-trihydroxyflavone]HMDB
4',4''',5,5'',7,7''-hexahydroxy-3''',8-biflavone, 8ciHMDB
4',5,7-Trihydroxyflavone(3'->8)-4',5,7-trihydroxyflavoneHMDB
Chemical FormulaC30H18O10
Average Molecular Weight538.4579
Monoisotopic Molecular Weight538.089996796
IUPAC Name8-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
Traditional Nameamentoflavone
CAS Registry Number1617-53-4
SMILES
OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C(=C2O1)C1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1
InChI Identifier
InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H
InChI KeyYUSWMAULDXZHPY-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassBiflavonoids and polyflavonoids
Direct ParentBiflavonoids and polyflavonoids
Alternative Parents
Substituents
  • Bi- and polyflavonoid skeleton
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Flavone
  • Hydroxyflavonoid
  • Chromone
  • Benzopyran
  • 1-benzopyran
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Pyranone
  • Monocyclic benzene moiety
  • Pyran
  • Benzenoid
  • Heteroaromatic compound
  • Vinylogous acid
  • Organoheterocyclic compound
  • Oxacycle
  • Organic oxygen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point300 °CNot Available
Boiling Point910.00 to 911.00 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility0.033 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP3.492 (est)The Good Scents Company Information System
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-Baker217.22830932474
[M+H]+Baker230.16430932474
[M-H]-Not Available217.228http://allccs.zhulab.cn/database/detail?ID=AllCCS00001939
[M+H]+Not Available230.164http://allccs.zhulab.cn/database/detail?ID=AllCCS00001939
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.0072 g/LALOGPS
logP4.49ALOGPS
logP5.09ChemAxon
logS-4.9ALOGPS
pKa (Strongest Acidic)6.12ChemAxon
pKa (Strongest Basic)-5.2ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area173.98 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity144.91 m³·mol⁻¹ChemAxon
Polarizability53.8 ųChemAxon
Number of Rings6ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+214.52530932474
DeepCCS[M-H]-212.6330932474
DeepCCS[M-2H]-245.8730932474
DeepCCS[M+Na]+220.27330932474
AllCCS[M+H]+233.432859911
AllCCS[M+H-H2O]+231.232859911
AllCCS[M+NH4]+235.432859911
AllCCS[M+Na]+235.932859911
AllCCS[M-H]-216.332859911
AllCCS[M+Na-2H]-217.132859911
AllCCS[M+HCOO]-218.332859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
AmentoflavoneOC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C(=C2O1)C1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O17928.3Standard polar33892256
AmentoflavoneOC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C(=C2O1)C1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O13916.6Standard non polar33892256
AmentoflavoneOC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C(=C2O1)C1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O15842.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Amentoflavone,1TMS,isomer #1C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O)C=C(O)C=C6O5)=CC=C4O)=C3O2)C=C15810.5Semi standard non polar33892256
Amentoflavone,1TMS,isomer #2C[Si](C)(C)OC1=CC(O)=C(C2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)C2=C1C(=O)C=C(C1=CC=C(O)C=C1)O25734.7Semi standard non polar33892256
Amentoflavone,1TMS,isomer #3C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C=C3)OC2=C1C1=CC(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O5770.8Semi standard non polar33892256
Amentoflavone,1TMS,isomer #4C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C=C1C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C=C1)=CC2=O5734.0Semi standard non polar33892256
Amentoflavone,1TMS,isomer #5C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O)C=C3)=CC4=O)=C1)O25716.5Semi standard non polar33892256
Amentoflavone,1TMS,isomer #6C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(C4=C(O)C=C(O)C5=C4OC(C4=CC=C(O)C=C4)=CC5=O)=C3)OC2=C15793.9Semi standard non polar33892256
Amentoflavone,2TMS,isomer #1C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O)C=C(O)C=C6O5)=CC=C4O)=C3O2)C=C15680.7Semi standard non polar33892256
Amentoflavone,2TMS,isomer #10C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C=C3)OC2=C1C1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O5686.6Semi standard non polar33892256
Amentoflavone,2TMS,isomer #11C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(C4=C(O[Si](C)(C)C)C=C(O)C5=C4OC(C4=CC=C(O)C=C4)=CC5=O)=C3)OC2=C15752.2Semi standard non polar33892256
Amentoflavone,2TMS,isomer #12C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C=C1C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C=C1)=CC2=O5704.8Semi standard non polar33892256
Amentoflavone,2TMS,isomer #13C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C=C1)=CC2=O5640.5Semi standard non polar33892256
Amentoflavone,2TMS,isomer #14C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C)C(C4=C(O)C=C(O)C5=C4OC(C4=CC=C(O)C=C4)=CC5=O)=C3)OC2=C15700.8Semi standard non polar33892256
Amentoflavone,2TMS,isomer #15C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(C4=C(O)C=C(O)C5=C4OC(C4=CC=C(O)C=C4)=CC5=O)=C3)OC2=C15681.7Semi standard non polar33892256
Amentoflavone,2TMS,isomer #2C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4=CC(C5=CC(=O)C6=C(O)C=C(O)C=C6O5)=CC=C4O)=C3O2)C=C15735.5Semi standard non polar33892256
Amentoflavone,2TMS,isomer #3C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O[Si](C)(C)C)C=C(O)C=C6O5)=CC=C4O)=C3O2)C=C15670.2Semi standard non polar33892256
Amentoflavone,2TMS,isomer #4C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O)C=C(O[Si](C)(C)C)C=C6O5)=CC=C4O)=C3O2)C=C15740.3Semi standard non polar33892256
Amentoflavone,2TMS,isomer #5C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O)C=C(O)C=C6O5)=CC=C4O[Si](C)(C)C)=C3O2)C=C15683.5Semi standard non polar33892256
Amentoflavone,2TMS,isomer #6C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C=C3)OC2=C1C1=CC(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O5695.6Semi standard non polar33892256
Amentoflavone,2TMS,isomer #7C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC=C(O)C=C3)=CC4=O)=C1)O25624.3Semi standard non polar33892256
Amentoflavone,2TMS,isomer #8C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(C4=C(O)C=C(O[Si](C)(C)C)C5=C4OC(C4=CC=C(O)C=C4)=CC5=O)=C3)OC2=C15691.8Semi standard non polar33892256
Amentoflavone,2TMS,isomer #9C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C=C1C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C=C1)=CC2=O5644.7Semi standard non polar33892256
Amentoflavone,3TMS,isomer #1C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4=CC(C5=CC(=O)C6=C(O)C=C(O)C=C6O5)=CC=C4O)=C3O2)C=C15517.5Semi standard non polar33892256
Amentoflavone,3TMS,isomer #10C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O)C=C(O[Si](C)(C)C)C=C6O5)=CC=C4O[Si](C)(C)C)=C3O2)C=C15503.7Semi standard non polar33892256
Amentoflavone,3TMS,isomer #11C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C=C3)OC2=C1C1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O5486.1Semi standard non polar33892256
Amentoflavone,3TMS,isomer #12C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C5=C4OC(C4=CC=C(O)C=C4)=CC5=O)=C3)OC2=C15550.5Semi standard non polar33892256
Amentoflavone,3TMS,isomer #13C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C=C1C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C=C1)=CC2=O5496.8Semi standard non polar33892256
Amentoflavone,3TMS,isomer #14C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(C4=C(O)C=C(O[Si](C)(C)C)C5=C4OC(C4=CC=C(O)C=C4)=CC5=O)=C3)OC2=C15501.1Semi standard non polar33892256
Amentoflavone,3TMS,isomer #15C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C=C1)=CC2=O5446.7Semi standard non polar33892256
Amentoflavone,3TMS,isomer #16C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C)C(C4=C(O)C=C(O[Si](C)(C)C)C5=C4OC(C4=CC=C(O)C=C4)=CC5=O)=C3)OC2=C15509.0Semi standard non polar33892256
Amentoflavone,3TMS,isomer #17C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(C4=C(O[Si](C)(C)C)C=C(O)C5=C4OC(C4=CC=C(O)C=C4)=CC5=O)=C3)OC2=C15531.3Semi standard non polar33892256
Amentoflavone,3TMS,isomer #18C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C=C1)=CC2=O5481.3Semi standard non polar33892256
Amentoflavone,3TMS,isomer #19C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C)C(C4=C(O[Si](C)(C)C)C=C(O)C5=C4OC(C4=CC=C(O)C=C4)=CC5=O)=C3)OC2=C15544.8Semi standard non polar33892256
Amentoflavone,3TMS,isomer #2C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O[Si](C)(C)C)C=C(O)C=C6O5)=CC=C4O)=C3O2)C=C15463.3Semi standard non polar33892256
Amentoflavone,3TMS,isomer #20C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C)C(C4=C(O)C=C(O)C5=C4OC(C4=CC=C(O)C=C4)=CC5=O)=C3)OC2=C15487.2Semi standard non polar33892256
Amentoflavone,3TMS,isomer #3C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O)C=C(O[Si](C)(C)C)C=C6O5)=CC=C4O)=C3O2)C=C15530.2Semi standard non polar33892256
Amentoflavone,3TMS,isomer #4C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O)C=C(O)C=C6O5)=CC=C4O[Si](C)(C)C)=C3O2)C=C15463.8Semi standard non polar33892256
Amentoflavone,3TMS,isomer #5C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4=CC(C5=CC(=O)C6=C(O[Si](C)(C)C)C=C(O)C=C6O5)=CC=C4O)=C3O2)C=C15496.3Semi standard non polar33892256
Amentoflavone,3TMS,isomer #6C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4=CC(C5=CC(=O)C6=C(O)C=C(O[Si](C)(C)C)C=C6O5)=CC=C4O)=C3O2)C=C15564.5Semi standard non polar33892256
Amentoflavone,3TMS,isomer #7C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4=CC(C5=CC(=O)C6=C(O)C=C(O)C=C6O5)=CC=C4O[Si](C)(C)C)=C3O2)C=C15498.0Semi standard non polar33892256
Amentoflavone,3TMS,isomer #8C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C6O5)=CC=C4O)=C3O2)C=C15504.1Semi standard non polar33892256
Amentoflavone,3TMS,isomer #9C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O[Si](C)(C)C)C=C(O)C=C6O5)=CC=C4O[Si](C)(C)C)=C3O2)C=C15440.1Semi standard non polar33892256
Amentoflavone,4TMS,isomer #1C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4=CC(C5=CC(=O)C6=C(O[Si](C)(C)C)C=C(O)C=C6O5)=CC=C4O)=C3O2)C=C15364.2Semi standard non polar33892256
Amentoflavone,4TMS,isomer #10C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C6O5)=CC=C4O[Si](C)(C)C)=C3O2)C=C15339.5Semi standard non polar33892256
Amentoflavone,4TMS,isomer #11C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C5=C4OC(C4=CC=C(O)C=C4)=CC5=O)=C3)OC2=C15393.5Semi standard non polar33892256
Amentoflavone,4TMS,isomer #12C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C=C1)=CC2=O5346.8Semi standard non polar33892256
Amentoflavone,4TMS,isomer #13C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C)C(C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C5=C4OC(C4=CC=C(O)C=C4)=CC5=O)=C3)OC2=C15395.3Semi standard non polar33892256
Amentoflavone,4TMS,isomer #14C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C)C(C4=C(O)C=C(O[Si](C)(C)C)C5=C4OC(C4=CC=C(O)C=C4)=CC5=O)=C3)OC2=C15354.7Semi standard non polar33892256
Amentoflavone,4TMS,isomer #15C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C)C(C4=C(O[Si](C)(C)C)C=C(O)C5=C4OC(C4=CC=C(O)C=C4)=CC5=O)=C3)OC2=C15369.6Semi standard non polar33892256
Amentoflavone,4TMS,isomer #2C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4=CC(C5=CC(=O)C6=C(O)C=C(O[Si](C)(C)C)C=C6O5)=CC=C4O)=C3O2)C=C15410.5Semi standard non polar33892256
Amentoflavone,4TMS,isomer #3C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4=CC(C5=CC(=O)C6=C(O)C=C(O)C=C6O5)=CC=C4O[Si](C)(C)C)=C3O2)C=C15365.5Semi standard non polar33892256
Amentoflavone,4TMS,isomer #4C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C6O5)=CC=C4O)=C3O2)C=C15364.0Semi standard non polar33892256
Amentoflavone,4TMS,isomer #5C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O[Si](C)(C)C)C=C(O)C=C6O5)=CC=C4O[Si](C)(C)C)=C3O2)C=C15321.2Semi standard non polar33892256
Amentoflavone,4TMS,isomer #6C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O)C=C(O[Si](C)(C)C)C=C6O5)=CC=C4O[Si](C)(C)C)=C3O2)C=C15362.0Semi standard non polar33892256
Amentoflavone,4TMS,isomer #7C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4=CC(C5=CC(=O)C6=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C6O5)=CC=C4O)=C3O2)C=C15381.7Semi standard non polar33892256
Amentoflavone,4TMS,isomer #8C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4=CC(C5=CC(=O)C6=C(O[Si](C)(C)C)C=C(O)C=C6O5)=CC=C4O[Si](C)(C)C)=C3O2)C=C15336.3Semi standard non polar33892256
Amentoflavone,4TMS,isomer #9C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4=CC(C5=CC(=O)C6=C(O)C=C(O[Si](C)(C)C)C=C6O5)=CC=C4O[Si](C)(C)C)=C3O2)C=C15379.8Semi standard non polar33892256
Amentoflavone,5TMS,isomer #1C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4=CC(C5=CC(=O)C6=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C6O5)=CC=C4O)=C3O2)C=C15222.5Semi standard non polar33892256
Amentoflavone,5TMS,isomer #2C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4=CC(C5=CC(=O)C6=C(O[Si](C)(C)C)C=C(O)C=C6O5)=CC=C4O[Si](C)(C)C)=C3O2)C=C15174.9Semi standard non polar33892256
Amentoflavone,5TMS,isomer #3C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4=CC(C5=CC(=O)C6=C(O)C=C(O[Si](C)(C)C)C=C6O5)=CC=C4O[Si](C)(C)C)=C3O2)C=C15218.8Semi standard non polar33892256
Amentoflavone,5TMS,isomer #4C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C6O5)=CC=C4O[Si](C)(C)C)=C3O2)C=C15189.1Semi standard non polar33892256
Amentoflavone,5TMS,isomer #5C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4=CC(C5=CC(=O)C6=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C6O5)=CC=C4O[Si](C)(C)C)=C3O2)C=C15201.4Semi standard non polar33892256
Amentoflavone,5TMS,isomer #6C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C)C(C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C5=C4OC(C4=CC=C(O)C=C4)=CC5=O)=C3)OC2=C15197.7Semi standard non polar33892256
Amentoflavone,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O)C=C(O)C=C6O5)=CC=C4O)=C3O2)C=C16020.7Semi standard non polar33892256
Amentoflavone,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)C2=C1C(=O)C=C(C1=CC=C(O)C=C1)O25962.5Semi standard non polar33892256
Amentoflavone,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C=C3)OC2=C1C1=CC(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O6001.4Semi standard non polar33892256
Amentoflavone,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C=C1C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C=C1)=CC2=O5972.0Semi standard non polar33892256
Amentoflavone,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O)C=C3)=CC4=O)=C1)O25947.9Semi standard non polar33892256
Amentoflavone,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(C4=C(O)C=C(O)C5=C4OC(C4=CC=C(O)C=C4)=CC5=O)=C3)OC2=C16005.3Semi standard non polar33892256
Amentoflavone,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O)C=C(O)C=C6O5)=CC=C4O)=C3O2)C=C16161.0Semi standard non polar33892256
Amentoflavone,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C=C3)OC2=C1C1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O6140.0Semi standard non polar33892256
Amentoflavone,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(C4=C(O[Si](C)(C)C(C)(C)C)C=C(O)C5=C4OC(C4=CC=C(O)C=C4)=CC5=O)=C3)OC2=C16201.3Semi standard non polar33892256
Amentoflavone,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C=C1C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C=C1)=CC2=O6146.9Semi standard non polar33892256
Amentoflavone,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C1C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C=C1)=CC2=O6103.7Semi standard non polar33892256
Amentoflavone,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(C4=C(O)C=C(O)C5=C4OC(C4=CC=C(O)C=C4)=CC5=O)=C3)OC2=C16163.6Semi standard non polar33892256
Amentoflavone,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(C4=C(O)C=C(O)C5=C4OC(C4=CC=C(O)C=C4)=CC5=O)=C3)OC2=C16153.9Semi standard non polar33892256
Amentoflavone,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4=CC(C5=CC(=O)C6=C(O)C=C(O)C=C6O5)=CC=C4O)=C3O2)C=C16178.7Semi standard non polar33892256
Amentoflavone,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C6O5)=CC=C4O)=C3O2)C=C16139.7Semi standard non polar33892256
Amentoflavone,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C6O5)=CC=C4O)=C3O2)C=C16196.5Semi standard non polar33892256
Amentoflavone,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O)C=C(O)C=C6O5)=CC=C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C16138.3Semi standard non polar33892256
Amentoflavone,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C=C3)OC2=C1C1=CC(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O6151.8Semi standard non polar33892256
Amentoflavone,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C4=C3OC(C3=CC=C(O)C=C3)=CC4=O)=C1)O26116.9Semi standard non polar33892256
Amentoflavone,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(C4=C(O)C=C(O[Si](C)(C)C(C)(C)C)C5=C4OC(C4=CC=C(O)C=C4)=CC5=O)=C3)OC2=C16176.9Semi standard non polar33892256
Amentoflavone,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C=C1C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C2=C1OC(C1=CC=C(O)C=C1)=CC2=O6123.0Semi standard non polar33892256
Amentoflavone,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(C4=CC(C5=CC(=O)C6=C(O)C=C(O)C=C6O5)=CC=C4O)=C3O2)C=C16249.6Semi standard non polar33892256
Amentoflavone,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C6O5)=CC=C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C16259.4Semi standard non polar33892256
Amentoflavone,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C=C3)OC2=C1C1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O6182.8Semi standard non polar33892256
Amentoflavone,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(C4=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C5=C4OC(C4=CC=C(O)C=C4)=CC5=O)=C3)OC2=C16254.8Semi standard non polar33892256
Amentoflavone,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C=C1C1=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C2=C1OC(C1=CC=C(O)C=C1)=CC2=O6213.1Semi standard non polar33892256
Amentoflavone,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(C4=C(O)C=C(O[Si](C)(C)C(C)(C)C)C5=C4OC(C4=CC=C(O)C=C4)=CC5=O)=C3)OC2=C16209.1Semi standard non polar33892256
Amentoflavone,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C1C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C2=C1OC(C1=CC=C(O)C=C1)=CC2=O6181.1Semi standard non polar33892256
Amentoflavone,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(C4=C(O)C=C(O[Si](C)(C)C(C)(C)C)C5=C4OC(C4=CC=C(O)C=C4)=CC5=O)=C3)OC2=C16248.0Semi standard non polar33892256
Amentoflavone,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(C4=C(O[Si](C)(C)C(C)(C)C)C=C(O)C5=C4OC(C4=CC=C(O)C=C4)=CC5=O)=C3)OC2=C16227.0Semi standard non polar33892256
Amentoflavone,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C1C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C=C1)=CC2=O6192.5Semi standard non polar33892256
Amentoflavone,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(C4=C(O[Si](C)(C)C(C)(C)C)C=C(O)C5=C4OC(C4=CC=C(O)C=C4)=CC5=O)=C3)OC2=C16257.5Semi standard non polar33892256
Amentoflavone,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C6O5)=CC=C4O)=C3O2)C=C16221.4Semi standard non polar33892256
Amentoflavone,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(C4=C(O)C=C(O)C5=C4OC(C4=CC=C(O)C=C4)=CC5=O)=C3)OC2=C16209.3Semi standard non polar33892256
Amentoflavone,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C6O5)=CC=C4O)=C3O2)C=C16282.9Semi standard non polar33892256
Amentoflavone,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O)C=C(O)C=C6O5)=CC=C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C16229.6Semi standard non polar33892256
Amentoflavone,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4=CC(C5=CC(=O)C6=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C6O5)=CC=C4O)=C3O2)C=C16232.6Semi standard non polar33892256
Amentoflavone,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4=CC(C5=CC(=O)C6=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C6O5)=CC=C4O)=C3O2)C=C16292.7Semi standard non polar33892256
Amentoflavone,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4=CC(C5=CC(=O)C6=C(O)C=C(O)C=C6O5)=CC=C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C16235.8Semi standard non polar33892256
Amentoflavone,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C6O5)=CC=C4O)=C3O2)C=C16245.4Semi standard non polar33892256
Amentoflavone,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4=CC(C5=CC(=O)C6=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C6O5)=CC=C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C16207.3Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Amentoflavone GC-MS (Non-derivatized) - 70eV, Positivesplash10-0c09-0200490000-63358733c6bb47bf6a402017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Amentoflavone GC-MS (2 TMS) - 70eV, Positivesplash10-014r-1200009000-9c92f959ae5bf7dabc002017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Amentoflavone GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Amentoflavone GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Amentoflavone GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Amentoflavone GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Amentoflavone GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Amentoflavone GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Amentoflavone GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Amentoflavone GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Amentoflavone GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Amentoflavone GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Amentoflavone GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Amentoflavone GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Amentoflavone GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Amentoflavone GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Amentoflavone GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Amentoflavone GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Amentoflavone GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Amentoflavone GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Amentoflavone GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Amentoflavone GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Amentoflavone GC-MS (TMS_3_1) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Amentoflavone GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Amentoflavone GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Amentoflavone LC-ESI-QTOF , positive-QTOFsplash10-000i-0000090000-a2ad9524a4b5b2c3f42f2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amentoflavone LC-ESI-QTOF , positive-QTOFsplash10-000i-0000090000-e1b205013e032e02da572017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amentoflavone LC-ESI-QTOF , positive-QTOFsplash10-000i-0000090000-3d45e3164b8d5d4877f02017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amentoflavone LC-ESI-QTOF , positive-QTOFsplash10-000i-0002390000-dbb1987153fe31c83ecd2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amentoflavone LC-ESI-ITFT , positive-QTOFsplash10-0udi-0003900000-2d367fc9a6536b2cb27c2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amentoflavone LC-ESI-ITFT , positive-QTOFsplash10-0udi-0003900000-af93fe7c4b3d9b1dd4982017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amentoflavone LC-ESI-ITFT , positive-QTOFsplash10-0udi-0003900000-023b65180070d0844e7b2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amentoflavone LC-ESI-ITFT , positive-QTOFsplash10-0udi-0003900000-25032f63ef80927e45822017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amentoflavone 30V, Positive-QTOFsplash10-000i-0002290000-58dd7c9ea4ff5b3ed2fd2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amentoflavone 15V, Positive-QTOFsplash10-000i-0000090000-4d426e74baa5c7e433722021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amentoflavone 10V, Positive-QTOFsplash10-000i-0000090000-981cc2adc9ad1f7b4f1c2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amentoflavone 20V, Positive-QTOFsplash10-000i-0000090000-f48440cacf23204e20a92021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amentoflavone 30V, Positive-QTOFsplash10-000i-0002390000-c75ff1b041be4031b3452021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amentoflavone 35V, Positive-QTOFsplash10-0udi-0003900000-65727c51ba90f56a25582021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amentoflavone 45V, Positive-QTOFsplash10-0udi-0003900000-80d4d3ca560a9ff8a95b2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amentoflavone 55V, Positive-QTOFsplash10-0udi-0003900000-4d82102034bd63b4bd802021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Amentoflavone 10V, Positive-QTOFsplash10-000i-0000090000-595f2028bc04129bb51b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Amentoflavone 20V, Positive-QTOFsplash10-0079-0000190000-0cf207dcedb3a61b05e62016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Amentoflavone 40V, Positive-QTOFsplash10-0ul0-4938860000-d61d32f383bfdc33f0fd2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Amentoflavone 10V, Negative-QTOFsplash10-000i-0000090000-631b14a2bc03068132c62016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Amentoflavone 20V, Negative-QTOFsplash10-000i-0000190000-5964bc41496f1188a3b42016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Amentoflavone 40V, Negative-QTOFsplash10-016r-5726940000-fa1d5c1697d66a7d066c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Amentoflavone 10V, Negative-QTOFsplash10-000i-0000090000-e053cb42f647783b64b52021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Amentoflavone 20V, Negative-QTOFsplash10-000i-0000090000-b8024380be98fbf9de2d2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Amentoflavone 40V, Negative-QTOFsplash10-014i-3918840000-1f33cb678ad4c0764a282021-09-22Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB002788
KNApSAcK IDC00001015
Chemspider ID4444919
KEGG Compound IDC10018
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkAmentoflavone
METLIN IDNot Available
PubChem Compound5281600
PDB IDNot Available
ChEBI ID2631
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1654031
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Tarallo V, Lepore L, Marcellini M, Dal Piaz F, Tudisco L, Ponticelli S, Lund FW, Roepstorff P, Orlandi A, Pisano C, De Tommasi N, De Falco S: The biflavonoid amentoflavone inhibits neovascularization preventing the activity of proangiogenic vascular endothelial growth factors. J Biol Chem. 2011 Jun 3;286(22):19641-51. doi: 10.1074/jbc.M110.186239. Epub 2011 Apr 6. [PubMed:21471210 ]
  2. Kim HK, Son KH, Chang HW, Kang SS, Kim HP: Amentoflavone, a plant biflavone: a new potential anti-inflammatory agent. Arch Pharm Res. 1998 Aug;21(4):406-10. [PubMed:9875467 ]
  3. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Enzymes

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. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:
UGT1A1
Uniprot ID:
P22309
Molecular weight:
59590.91
Reactions
Amentoflavone → 6-[(2-{3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-4-hydroxyphenyl}-5-hydroxy-4-oxo-4H-chromen-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
Amentoflavone → 6-[(2-{3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-4-hydroxyphenyl}-7-hydroxy-4-oxo-4H-chromen-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
Amentoflavone → 6-{2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-4-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
Amentoflavone → 6-({8-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
Amentoflavone → 6-({8-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]-7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
Amentoflavone → 6-(4-{8-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-4-oxo-4H-chromen-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic aciddetails