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CHEBI:190075 - o-Hydroxyfinasteride

ChEBI IDCHEBI:190075
ChEBI Nameo-Hydroxyfinasteride
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H36N2O3
Net Charge0
Average Mass388.552
Monoisotopic Mass388.27259
SMILES[H][C@@]12CC[C@@]3([H])NC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(=O)NC(C)(C)CO)CC[C@@]21[H]
InChIInChI=1S/C23H36N2O3/c1-21(2,13-26)25-20(28)17-7-6-15-14-5-8-18-23(4,12-10-19(27)24-18)16(14)9-11-22(15,17)3/h10,12,14-18,26H,5-9,11,13H2,1-4H3,(H,24,27)(H,25,28)/t14-,15-,16-,17+,18+,22-,23+/m0/s1
InChIKeyMFUJYZCMHDCXGQ-WSBQPABSSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
Roles Classification
Biological Role:
androgen  A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.
ChEBI Ontology
Outgoing Relation(s)
o-Hydroxyfinasteride (CHEBI:190075) has role androgen (CHEBI:50113)
o-Hydroxyfinasteride (CHEBI:190075) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(1-hydroxy-2-methylpropan-2-yl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-]quinoline-1-carboxamide
Manual XrefsDatabases
18612028ChemSpider
Registry NumbersSources
CAS:116285-36-0ChemIDplus