CHEBI:190075 - o-Hydroxyfinasteride

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ChEBI Name o-Hydroxyfinasteride
ChEBI ID CHEBI:190075
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H36N2O3
Net Charge 0
Average Mass 388.552
Monoisotopic Mass 388.27259
InChI InChI=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
InChIKey MFUJYZCMHDCXGQ-WSBQPABSSA-N
SMILES O=C(NC(CO)(C)C)[C@@H]1[C@@]2([C@]([C@]3([C@@]([C@@]4([C@](NC(=O)C=C4)(CC3)[H])C)(CC2)[H])[H])(CC1)[H])C
Metabolite of Species Details
Brassica napus (NCBI:txid3708) Found in flower (BTO:0000469). See: MetaboLights Study
Roles Classification
Biological Role(s): androgen
A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
18612028 ChemSpider
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Registry Number Type Source
116285-36-0 CAS Registry Number ChemIDplus