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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:50 UTC
Update Date2021-09-14 15:18:16 UTC
HMDB IDHMDB0014984
Secondary Accession Numbers
  • HMDB14984
Metabolite Identification
Common NameFlurandrenolide
DescriptionFlurandrenolide is only found in individuals that have used or taken this drug. It is a corticosteroid used topically in the treatment of various skin disorders. It is usually employed as a cream or an ointment, and is also used as a polyethylene tape with an adhesive. (From Martindale, The Extra Pharmacopoeia, 30th ed, p733)Flurandrenolide is a topical corticosteroid. It is normally applied to a plastic tape called Cordran. Cordran is primarily effective because of its anti-inflammatory, antipruritic, and vasoconstrictive actions. Flurandrenolide, which is slowly released from the Cordran tape, binds to the cytosolic glucocorticoid receptor. After binding the receptor the newly formed receptor-ligand complex translocates itself into the cell nucleus, where it binds to many glucocorticoid response elements (GRE) in the promoter region of the target genes. The DNA bound receptor then interacts with basic transcription factors, causing the increase in expression of specific target genes. The anti-inflammatory actions of corticosteroids are thought to involve lipocortins, phospholipase A2 inhibitory proteins which, through inhibition arachidonic acid, control the biosynthesis of prostaglandins and leukotrienes. Specifically glucocorticoids induce lipocortin-1 (annexin-1) synthesis, which then binds to cell membranes preventing the phospholipase A2 from coming into contact with its substrate arachidonic acid. This leads to diminished eicosanoid production. Cyclooxygenase (both COX-1 and COX-2) expression is also suppressed, potentiating the effect. In another words, the two main products in inflammation Prostaglandins and Leukotrienes are inhibited by the action of Glucocorticoids. Glucocorticoids also stimulate the lipocortin-1 escaping to the extracellular space, where it binds to the leukocyte membrane receptors and inhibits various inflammatory events: epithelial adhesion, emigration, chemotaxis, phagocytosis, respiratory burst and the release of various inflammatory mediators (lysosomal enzymes, cytokines, tissue plasminogen activator, chemokines etc.) from neutrophils, macrophages and mastocytes. Additionally the immune system is suppressed by corticosteroids due to a decrease in the function of the lymphatic system, a reduction in immunoglobulin and complement concentrations, the precipitation of lymphocytopenia, and interference with antigen-antibody binding. Like other glucocorticoid agents Fluocinolone acetonide acts as a physiological antagonist to insulin by decreasing glycogenesis (formation of glycogen). It also promotes the breakdown of lipids (lipolysis), and proteins, leading to the mobilization of extrahepatic amino acids and ketone bodies. This leads to increased circulating glucose concentrations (in the blood). There is also decreased glycogen formation in the liver.
Structure
Data?1582753244
Synonyms
ValueSource
FludroxycortideKegg
CordranKegg
FloudroxycortideHMDB
FludrossicortideHMDB
FludroxicortidumHMDB
FluorandrenoloneHMDB
Fluorandrenolone acetonideHMDB
FlurandrenoloneHMDB
Flurandrenolone acetonideHMDB
HaelanHMDB
Oclassen brand OF flurandrenoloneHMDB
Typharm brand OF flurandrenoloneHMDB
Chemical FormulaC24H33FO6
Average Molecular Weight436.5136
Monoisotopic Molecular Weight436.226116993
IUPAC Name(1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-17-en-16-one
Traditional Nameflurandrenolide
CAS Registry Number1524-88-5
SMILES
[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@]([H])(F)C5=CC(=O)CC[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO
InChI Identifier
InChI=1S/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h7,13-14,16-17,19-20,26,28H,5-6,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1
InChI KeyPOPFMWWJOGLOIF-XWCQMRHXSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
Sub ClassHydroxysteroids
Direct Parent21-hydroxysteroids
Alternative Parents
Substituents
  • Progestogin-skeleton
  • 21-hydroxysteroid
  • Pregnane-skeleton
  • 20-oxosteroid
  • 3-oxo-delta-4-steroid
  • 3-oxosteroid
  • 6-halo-steroid
  • Halo-steroid
  • 11-hydroxysteroid
  • 11-beta-hydroxysteroid
  • Oxosteroid
  • Delta-4-steroid
  • Ketal
  • Cyclohexenone
  • Meta-dioxolane
  • Alpha-hydroxy ketone
  • Cyclic alcohol
  • Ketone
  • Secondary alcohol
  • Cyclic ketone
  • Acetal
  • Organoheterocyclic compound
  • Oxacycle
  • Primary alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organic oxygen compound
  • Alkyl halide
  • Alkyl fluoride
  • Alcohol
  • Organohalogen compound
  • Organofluoride
  • Organooxygen compound
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Biological location

Source

Route of exposure

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point251 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.058 g/LNot Available
LogP0.6Not Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+Not Available201.176http://allccs.zhulab.cn/database/detail?ID=AllCCS00001169
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.058 g/LALOGPS
logP10(2.02) g/LALOGPS
logP10(1.56) g/LChemAxon
logS10(-3.9) g/LALOGPS
pKa (Strongest Acidic)13.73ChemAxon
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area93.06 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity110.79 m³·mol⁻¹ChemAxon
Polarizability45.74 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Flurandrenolide[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@]([H])(F)C5=CC(=O)CC[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO3182.3Standard polar33892256
Flurandrenolide[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@]([H])(F)C5=CC(=O)CC[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO2996.9Standard non polar33892256
Flurandrenolide[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@]([H])(F)C5=CC(=O)CC[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO3680.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Flurandrenolide,1TMS,isomer #1CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C)C[C@]3(C)[C@]2(C(=O)CO)O13103.1Semi standard non polar33892256
Flurandrenolide,1TMS,isomer #2CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO[Si](C)(C)C)O13183.7Semi standard non polar33892256
Flurandrenolide,1TMS,isomer #3CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O13154.5Semi standard non polar33892256
Flurandrenolide,1TMS,isomer #4CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=CO)O[Si](C)(C)C)O13202.2Semi standard non polar33892256
Flurandrenolide,2TMS,isomer #1CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C)C[C@]3(C)[C@]2(C(=O)CO[Si](C)(C)C)O13076.8Semi standard non polar33892256
Flurandrenolide,2TMS,isomer #2CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C)C[C@]3(C)[C@]2(C(=O)CO)O13052.8Semi standard non polar33892256
Flurandrenolide,2TMS,isomer #3CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C)C[C@]3(C)[C@]2(C(=CO)O[Si](C)(C)C)O13107.8Semi standard non polar33892256
Flurandrenolide,2TMS,isomer #4CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO[Si](C)(C)C)O13136.2Semi standard non polar33892256
Flurandrenolide,2TMS,isomer #5CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=CO[Si](C)(C)C)O[Si](C)(C)C)O13183.6Semi standard non polar33892256
Flurandrenolide,2TMS,isomer #6CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=CO)O[Si](C)(C)C)O13137.9Semi standard non polar33892256
Flurandrenolide,3TMS,isomer #1CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C)C[C@]3(C)[C@]2(C(=O)CO[Si](C)(C)C)O13050.3Semi standard non polar33892256
Flurandrenolide,3TMS,isomer #1CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C)C[C@]3(C)[C@]2(C(=O)CO[Si](C)(C)C)O13232.2Standard non polar33892256
Flurandrenolide,3TMS,isomer #1CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C)C[C@]3(C)[C@]2(C(=O)CO[Si](C)(C)C)O13435.7Standard polar33892256
Flurandrenolide,3TMS,isomer #2CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C)C[C@]3(C)[C@]2(C(=CO[Si](C)(C)C)O[Si](C)(C)C)O13085.4Semi standard non polar33892256
Flurandrenolide,3TMS,isomer #2CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C)C[C@]3(C)[C@]2(C(=CO[Si](C)(C)C)O[Si](C)(C)C)O13232.3Standard non polar33892256
Flurandrenolide,3TMS,isomer #2CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C)C[C@]3(C)[C@]2(C(=CO[Si](C)(C)C)O[Si](C)(C)C)O13471.9Standard polar33892256
Flurandrenolide,3TMS,isomer #3CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C)C[C@]3(C)[C@]2(C(=CO)O[Si](C)(C)C)O13066.0Semi standard non polar33892256
Flurandrenolide,3TMS,isomer #3CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C)C[C@]3(C)[C@]2(C(=CO)O[Si](C)(C)C)O13183.3Standard non polar33892256
Flurandrenolide,3TMS,isomer #3CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C)C[C@]3(C)[C@]2(C(=CO)O[Si](C)(C)C)O13530.7Standard polar33892256
Flurandrenolide,3TMS,isomer #4CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=CO[Si](C)(C)C)O[Si](C)(C)C)O13105.1Semi standard non polar33892256
Flurandrenolide,3TMS,isomer #4CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=CO[Si](C)(C)C)O[Si](C)(C)C)O13314.9Standard non polar33892256
Flurandrenolide,3TMS,isomer #4CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=CO[Si](C)(C)C)O[Si](C)(C)C)O13555.0Standard polar33892256
Flurandrenolide,4TMS,isomer #1CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C)C[C@]3(C)[C@]2(C(=CO[Si](C)(C)C)O[Si](C)(C)C)O13055.7Semi standard non polar33892256
Flurandrenolide,4TMS,isomer #1CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C)C[C@]3(C)[C@]2(C(=CO[Si](C)(C)C)O[Si](C)(C)C)O13233.4Standard non polar33892256
Flurandrenolide,4TMS,isomer #1CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C)C[C@]3(C)[C@]2(C(=CO[Si](C)(C)C)O[Si](C)(C)C)O13434.1Standard polar33892256
Flurandrenolide,1TBDMS,isomer #1CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]3(C)[C@]2(C(=O)CO)O13333.7Semi standard non polar33892256
Flurandrenolide,1TBDMS,isomer #2CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO[Si](C)(C)C(C)(C)C)O13448.2Semi standard non polar33892256
Flurandrenolide,1TBDMS,isomer #3CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O13397.8Semi standard non polar33892256
Flurandrenolide,1TBDMS,isomer #4CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=CO)O[Si](C)(C)C(C)(C)C)O13426.3Semi standard non polar33892256
Flurandrenolide,2TBDMS,isomer #1CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]3(C)[C@]2(C(=O)CO[Si](C)(C)C(C)(C)C)O13555.5Semi standard non polar33892256
Flurandrenolide,2TBDMS,isomer #2CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]3(C)[C@]2(C(=O)CO)O13493.6Semi standard non polar33892256
Flurandrenolide,2TBDMS,isomer #3CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]3(C)[C@]2(C(=CO)O[Si](C)(C)C(C)(C)C)O13548.7Semi standard non polar33892256
Flurandrenolide,2TBDMS,isomer #4CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO[Si](C)(C)C(C)(C)C)O13605.2Semi standard non polar33892256
Flurandrenolide,2TBDMS,isomer #5CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O13637.1Semi standard non polar33892256
Flurandrenolide,2TBDMS,isomer #6CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=CO)O[Si](C)(C)C(C)(C)C)O13587.1Semi standard non polar33892256
Flurandrenolide,3TBDMS,isomer #1CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]3(C)[C@]2(C(=O)CO[Si](C)(C)C(C)(C)C)O13689.3Semi standard non polar33892256
Flurandrenolide,3TBDMS,isomer #1CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]3(C)[C@]2(C(=O)CO[Si](C)(C)C(C)(C)C)O13847.0Standard non polar33892256
Flurandrenolide,3TBDMS,isomer #1CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]3(C)[C@]2(C(=O)CO[Si](C)(C)C(C)(C)C)O13640.6Standard polar33892256
Flurandrenolide,3TBDMS,isomer #2CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]3(C)[C@]2(C(=CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O13732.2Semi standard non polar33892256
Flurandrenolide,3TBDMS,isomer #2CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]3(C)[C@]2(C(=CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O13853.5Standard non polar33892256
Flurandrenolide,3TBDMS,isomer #2CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]3(C)[C@]2(C(=CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O13663.3Standard polar33892256
Flurandrenolide,3TBDMS,isomer #3CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]3(C)[C@]2(C(=CO)O[Si](C)(C)C(C)(C)C)O13694.1Semi standard non polar33892256
Flurandrenolide,3TBDMS,isomer #3CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]3(C)[C@]2(C(=CO)O[Si](C)(C)C(C)(C)C)O13761.1Standard non polar33892256
Flurandrenolide,3TBDMS,isomer #3CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]3(C)[C@]2(C(=CO)O[Si](C)(C)C(C)(C)C)O13704.4Standard polar33892256
Flurandrenolide,3TBDMS,isomer #4CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O13765.1Semi standard non polar33892256
Flurandrenolide,3TBDMS,isomer #4CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O13877.1Standard non polar33892256
Flurandrenolide,3TBDMS,isomer #4CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O13737.4Standard polar33892256
Flurandrenolide,4TBDMS,isomer #1CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]3(C)[C@]2(C(=CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O13852.2Semi standard non polar33892256
Flurandrenolide,4TBDMS,isomer #1CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]3(C)[C@]2(C(=CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O13948.8Standard non polar33892256
Flurandrenolide,4TBDMS,isomer #1CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]5(C)[C@H]4[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]3(C)[C@]2(C(=CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O13674.9Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Flurandrenolide GC-MS (2 TMS) - 70eV, Positivesplash10-014i-0242190000-938550a71054495f50e42017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Flurandrenolide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Flurandrenolide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Flurandrenolide LC-ESI-qTof , Positive-QTOFsplash10-001s-3961000000-a326b0165af296ecf2452017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Flurandrenolide , positive-QTOFsplash10-001s-3961000000-a326b0165af296ecf2452017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Flurandrenolide 45V, Positive-QTOFsplash10-0ab9-2930000000-cd90ebd8b6bcbdff01132021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Flurandrenolide 30V, Positive-QTOFsplash10-0101-1892000000-4a7a3215b7b92c4b58492021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Flurandrenolide 30V, Positive-QTOFsplash10-0101-1892000000-5e67e16afeb176cac16f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Flurandrenolide 45V, Positive-QTOFsplash10-0ab9-2930000000-135be0b7a10b1438ca012021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Flurandrenolide 75V, Positive-QTOFsplash10-054o-4900000000-698c8e0c7a2c1b17adea2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Flurandrenolide 75V, Positive-QTOFsplash10-054o-4900000000-a2803e4d1a9647bfb01c2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Flurandrenolide 10V, Positive-QTOFsplash10-014r-0001900000-8ab0b07154fa08fbd90e2016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Flurandrenolide 20V, Positive-QTOFsplash10-0aor-2065900000-9325b21e5bdc8417f5f12016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Flurandrenolide 40V, Positive-QTOFsplash10-0bta-1392000000-e312185a8364edd393452016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Flurandrenolide 10V, Negative-QTOFsplash10-052r-1006900000-7aad85976b8cbc3f2dd72016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Flurandrenolide 20V, Negative-QTOFsplash10-0ar9-2006900000-d7efad75f8beac5b5b6a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Flurandrenolide 40V, Negative-QTOFsplash10-0a4i-7119000000-7a16a8ee051b259569882016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Flurandrenolide 10V, Positive-QTOFsplash10-000i-0002900000-a75f37566ef563be73f52021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Flurandrenolide 20V, Positive-QTOFsplash10-0170-0247900000-bf85161108e4ee5e57722021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Flurandrenolide 40V, Positive-QTOFsplash10-0ar3-2490000000-e63b46eb297d675f27172021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Flurandrenolide 10V, Negative-QTOFsplash10-000i-0000900000-237c434d76e103d4dd612021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Flurandrenolide 20V, Negative-QTOFsplash10-004r-0009500000-7662c4c1dc487a05e57a2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Flurandrenolide 40V, Negative-QTOFsplash10-0bt9-9060600000-a4f103f5a13a922b43492021-10-11Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00846 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00846 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB00846
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID14475
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkFludroxycortide
METLIN IDNot Available
PubChem Compound15209
PDB IDNot Available
ChEBI ID774963
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. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.