Compound: 2-METHOXYESTRONE
SMILES: O=C1[C@@]2([C@H]([C@H]3[C@@H](c4c(cc(O)c(c4)OC)CC3)CC2)CC1)C
InChIKey: WHEUWNKSCXYKBU-QPWUGHHJSA-N
Synonyms: 2-METHOXYESTRONE, 362-08-3, 3-Hydroxy-2-methoxyestra-1,3,5(10)-trien-17-one, SJ5857RRL3, (8R,9S,13S,14S)-3-hydroxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one, CHEBI:1189, GSS-33, 2-methoxy,3-hydroxy-estra-1,3,5(10)-trien-17-one, (8R,9S,13S,14S)-3-hydroxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta(a)phenanthren-17-one, RefChem:87906, 2-MeOE1, 2-OMeE1, 2-MeE1, (1S,10R,11S,15S)-5-hydroxy-4-methoxy-15-methyltetracyclo(8.7.0.02,7.011,15)heptadeca-2(7),3,5-trien-14-one, 206-645-6, 2-Methoxy Estrone, 2-Hydroxyestrone 2-methyl ether, Estrone, 2-methoxy-, 2-Methoxy-3-hydroxyestra-1,3,5(10)-trien-17-one, Estra-1,3,5(10)-trien-17-one,3-hydroxy-2-methoxy-, 2-Methoxy-17-oxoestra-1,3,5(10)-trien-3-ol, CHEMBL425194, 3-hydroxy-2-methoxy-Estra-1,3,5(10)-trien-17-one, Estra-1,3,5(10)-trien-17-one, 3-hydroxy-2-methoxy-, UNII-SJ5857RRL3, methoxy-Estrone, GSS 33, 2-methoxy-estrone, 2-Methoxyestrone?, EINECS 206-645-6, SCHEMBL221700, orb1308893, orb3141072, SCHEMBL29564931, BDBM50311662, LMST02010033, MSK011002, 2-Methoxyestrone, analytical standard, AKOS030241279, EBC-616187, FM25178, MSK011002-100A, (3aS,3bR,9bS,11aS)-7-hydroxy-8-methoxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one, MS-24333, PD101971, HY-113252, CS-0059417, NS00014682, C05299, G60900, 2-Methoxyestrone Solution in Acetonitrile, 100ug/mL, 3=hydroxy-2-methoxyestra-1,3,5(10)-trien-17-one, Q27105423, 37EB3FD4-1C69-4B93-91D2-3BE41F7B19E5, (8R,9S,13S,14S)-3-Hydroxy-2-methoxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[a]phenanthren-17-one, (8R,9S,13S,14S)-3-hydroxy-2-methoxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one, 2-(8S,9S,13S,14S)-3-hydroxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Theoretical properties:
molecular_formula: C19H24O3
molecular_weight: 300.4 g/mol
exact_mass: 300.17254462 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 1
heavy_atom_count: 22
topological_polar_surface_area: 46.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 187.0 - 189.5 °C
Descriptions:
pubchem: 2-methoxyestrone is a 17-oxo steroid that is estrone in which the hydrogen at position 2 has been replaced by a methoxy group. It has a role as a mouse metabolite and a human metabolite. It is a phenolic steroid, a 17-oxo steroid, a member of phenols, an aromatic ether, an alicyclic ketone and a 3-hydroxy steroid. It is functionally related to an estrone.
chebi: A 17-oxo steroid that is estrone in which the hydrogen at position 2 has been replaced by a methoxy group.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 2-Methoxyestrone (2-ME1) is an endogenous, naturally occurring methoxylated catechol estrogen and metabolite of estrone that is formed by catechol O-methyltransferase via the intermediate 2-hydroxyestrone. Unlike estrone but similarly to 2-hydroxyestrone and 2-methoxyestradiol, 2-methoxyestrone has very low affinity for the estrogen receptor and lacks significant estrogenic activity.