Molecular Identity
Estriol
(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
PubChem CID: 5756
Estriol is a 3-hydroxy steroid that is estra-1,3,5(10)-trien-3-ol substituted by additional hydroxy groups at positions 16 and 17 (16alpha,17beta-stereoisomer). It has a role as an estrogen, a mouse metabolite, a human xenobiotic metabolite and a human metabolite. It is a 16alpha-hydroxy steroid, a 17beta-hydroxy steroid and a 3-hydroxy steroid. It derives from a hydride of an estrane.
2D Structure
Properties
C18H24O3
Molecular Formula
288.40
Molecular Weight
g/mol
288.1725
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
60.7
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
3
H-Bond Acceptors
411
Complexity
SMILES
Canonical SMILES
SMILES: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)OIsomeric SMILES
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)OSynonyms(20)
estriol50-27-1OestriolTrihydroxyestrinAacifemineEstratriolOvestrionTridestrinDestriolOvestinTheelolHormomedKlimoralOestratriolOrestin
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Estriol
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