Molecular Identity
2-Methoxyestradiol
(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
PubChem CID: 66414
2-methoxy-17beta-estradiol is a 17beta-hydroxy steroid, being 17beta-estradiol methoxylated at C-2. It has a role as a metabolite, an antineoplastic agent, an angiogenesis modulating agent, an antimitotic, a mouse metabolite and a human metabolite. It is a 17beta-hydroxy steroid and a 3-hydroxy steroid. It is functionally related to a 17beta-estradiol.
2D Structure
Properties
C19H26O3
Molecular Formula
302.40
Molecular Weight
g/mol
302.1882
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
49.7
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
425
Complexity
SMILES
Canonical SMILES
SMILES: CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)OC)OIsomeric SMILES
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)OC)OSynonyms(20)
2-Methoxyestradiol362-07-2Panzem2-Methoxyestradiol-17beta2-ME22-Hydroxyestradol 2-methyl ether2ME22-methoxy-17beta-estradiol2-methoxyoestradiolNSC-659853(17beta)-2-Methoxyestra-1,3,5(10)-triene-3,17-diol2-Methoxyestra-1,3,5(10)-triene-3,17beta-diol6I2QW73SR5DTXSID3040938Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, (17beta)-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 2-Methoxyestradiol
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