7-beta-Hydroxyepiandrosterone
(3S,5R,7S,8R,9S,10S,13S,14S)-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Molecular Identity
7-beta-Hydroxyepiandrosterone
(3S,5R,7S,8R,9S,10S,13S,14S)-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
PubChem CID: 9836181
7beta-hydroxyepiandrosterone is a 3beta-hydroxy steroid that is epiandrosterone carrying a hydroxy group at the 7beta position. It is an endogenous androgen metabolite that has been shown to exert neuroprotective effects. It has a role as an androgen, an estrogen receptor antagonist, a neuroprotective agent and a human metabolite. It is a 17-oxo steroid, a 7beta-hydroxy steroid, a 3beta-hydroxy steroid and an androstanoid. It is functionally related to an epiandrosterone.
2D Structure
Properties
C19H30O3
Molecular Formula
306.40
Molecular Weight
g/mol
306.2195
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
57.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
489
Complexity
SMILES
Canonical SMILES
SMILES: CC12CCC(CC1CC(C3C2CCC4(C3CCC4=O)C)O)OIsomeric SMILES
SMILES: C[C@]12CC[C@@H](C[C@@H]1C[C@@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O)OSynonyms(20)
7beta-OH-Epia7-beta-Hydroxyepiandrosterone7beta-hydroxyepiandrosteroneOCP3E5KD08hf0220(3beta,5alpha,7beta)-3,7-Dihydroxyandrostan-17-oneCHEBI:183809(3S,5R,7S,8R,9S,10S,13S,14S)-3,7-Dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta(a)phenanthren-17-one7-.BETA.-HYDROXYEPIANDROSTERONE7.BETA.-HYDROXY-EPI-ANDROSTERONEAndrostan-17-one, 3,7-dihydroxy-, (3beta,5alpha,7beta)-(3.BETA.,5.ALPHA.,7.BETA.)-3,7-DIHYDROXYANDROSTAN-17-ONEANDROSTAN-17-ONE, 3,7-DIHYDROXY-, (3.BETA.,5.ALPHA.,7.BETA.)-(3aS,3bR,4S,5aR,7S,9aS,9bS,11aS)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-one(3aS,3bR,4S,5aR,7S,9aS,9bS,11aS)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta(a)phenanthren-1-one
Data from PubChem (NCBI)
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