Molecular Identity
ESTETROL
(8R,9S,13S,14S,15R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,16,17-tetrol
PubChem CID: 27125
Estetrol is a 3-hydroxy steroid that is 17beta-estradiol which has been substituted at the 15alpha and 16alpha positions by two additional hydroxy groups. It is a natural estrogen produced exclusively during pregnancy by the fetal liver. It has a role as an oral contraceptive, an estrogen, an estrogen receptor agonist, a human xenobiotic metabolite and a human metabolite. It is a 16alpha-hydroxy steroid, a steroid hormone, a 17beta-hydroxy steroid, a 3-hydroxy steroid and a 15alpha-hydroxy steroid. It derives from a hydride of an estrane.
2D Structure
Properties
C18H24O4
Molecular Formula
304.40
Molecular Weight
g/mol
304.1675
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
80.9
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
4
H-Bond Acceptors
441
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
ESTETROL15183-37-6Estetrol anhydrous15alpha-hydroxyestriolestetrolumoestetrolENB39R14VFEstetrol (anhydrous)15 alpha-hydroxyestriolestra-1,3,5(10)-triene-3,15alpha,16alpha,17beta-tetrolCHEBI:142773DTXSID50164888Estra-1,3,5(10)-triene-3,15,16,17-tetrol, (15alpha,16alpha,17beta)-15 alpha HydroxyestriolRefChem:591228
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to ESTETROL
Loading drug network...