Molecular Identity
Dehydroepiandrosterone
(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
PubChem CID: 5881
Dehydroepiandrosterone is an androstanoid that is androst-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 17. It is a naturally occurring steroid hormone produced by the adrenal glands. It has a role as an androgen, a mouse metabolite and a human metabolite. It is a 3beta-hydroxy-Delta(5)-steroid, a 17-oxo steroid and an androstanoid.
2D Structure
Properties
C19H28O2
Molecular Formula
288.40
Molecular Weight
g/mol
288.2089
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
37.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
508
Complexity
SMILES
Canonical SMILES
SMILES: CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)CIsomeric SMILES
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)CSynonyms(20)
DehydroepiandrosteroneDHEAPRASTERONE53-43-0DehydroisoandrosteroneAndrostenoloneDiandron3beta-hydroxyandrost-5-en-17-one17-HormoforinIntrarosaPrasterona3-beta-Hydroxy-5-androsten-17-onePrasteronumVaginorm5,6-Dehydroisoandrosterone
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Dehydroepiandrosterone
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