Molecular Identity
Estradiol
(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
PubChem CID: 5757
17beta-estradiol is the 17beta-isomer of estradiol. It has a role as a geroprotector, an estrogen, an EC 1.2.3.1 (aldehyde oxidase) inhibitor, a mouse metabolite, a human metabolite and a Daphnia magna metabolite. It is an estradiol and a 17beta-hydroxy steroid.
2D Structure
Properties
C18H24O2
Molecular Formula
272.40
Molecular Weight
g/mol
272.1776
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
40.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
2
H-Bond Acceptors
382
Complexity
SMILES
Canonical SMILES
SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OIsomeric SMILES
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OSynonyms(20)
estradiolbeta-Estradiol50-28-217beta-EstradiolOestradiolEstraceDihydrofolliculinAquadiolDiogynetsDivigelVivelleDiogynDihydrotheelinDihydroxyestrinDimenformon
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Estradiol
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