Compound: 2-Hydroxyestradiol
SMILES: Oc1c(O)cc2CC[C@@H]3[C@@H](c2c1)CC[C@]4([C@H]3CC[C@@H]4O)C
InChIKey: DILDHNKDVHLEQB-XSSYPUMDSA-N
Synonyms: 2-Hydroxyestradiol, 362-05-0, 2-OH-Estradiol, 2-hydroxy-17beta-estradiol, 2-OH-E2, 2-Hydroxyestradiol-17beta, Estra-1,3,5(10)-triene-2,3,17beta-triol, (17beta)-Estra-1,3,5(10)-triene-2,3,17-triol, AYU2L67YUU, CHEBI:28744, NSC-61711, 2-hydroxyestradiol-17 alpha, RefChem:473419, (17 beta)-estra-1,3,5(10)-triene-2,3,17-triol, 2-OHE2, 632-218-2, 2-hydroxy-estradiol, 2-Hydroxy-17|A-estradiol, 2-Hydroxy-17b-estradiol, ESTRA-1,3,5(10)-TRIENE-2,3,17-beta-TRIOL, MLS000069506, CHEMBL467987, 2-hydroxy Estradiol, SMR000058615, 1,3,5(10)-estratriene-2,3,17Beta-triol, Estra-1,3,5(10)-triene-2,3,17b-triol, 2,3,17b-Trihydroxyestra-1,3,5(10)-triene, 2,3,17beta-Trihydroxy-1,3,5(10)-Estratriene, (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,3,17-triol, ECS, UNII-AYU2L67YUU, CCRIS 8709, DTXSID3022372, NSC 61711, 1,3,5(10)-Estratriene-2,3-17beta-triol, BRN 2219367, 2bw7, Opera_ID_1837, 17beta-2-Hydroxyestradiol, 2-Hydroxy-17?-estradiol, Epitope ID:159258, 4-06-00-07547 (Beilstein Handbook Reference), BIDD:ER0098, SCHEMBL225052, cid_247304, SGCUT00102, SCHEMBL29565170, HMS2230J22, HMS3648A04, NSC61711, to_000058, BDBM50262140, LMST02010027, MSK163840, 2-Hydroxyestradiol, >=95% (HPLC), 2-Hydroxyestradiol, analytical standard, DB07706, FH24182, MSK163840-100A, NCGC00247034-01, (8R,9S,13S,14S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-2,3,17-triol, MS-24123, PD005535, HY-124489, CS-0086658, Estra-1,3,5(10)-triene-2,3,17-triol, NS00015251, C05301, Estra-1,3,5(10)-triene-2,3,17-triol #, Estra-1,5(10)-triene-2,3,17.beta.-triol, G60887, ESTRADIOL METABOLITE (2-HYDROXYESTRADIOL), Estra-1,3,5(10)-triene-2,3,17.beta.-triol, SR-01000946341, (17b)-Estra-1,3,5(10)-triene-2,3,17-triol, Estra-1,3,5 (10)-triene-2,3,17.beta.-triol, SR-01000946341-1, (17b)-Estra-1,3, 5(10)-triene-2,3,17-triol, Q27096924, Estra-1,3,5(10)-triene-2,3,17-triol, (17beta)-, Estra-1,5(10)-triene-2,3,17-triol, (17.beta.)-, (17beta)- Estra-1,3, 5 (10)-triene-2,3,17-triol, 2-Hydroxy-17-beta-estradiol 100 microg/mL in Acetonitrile, Estra-1,3,5(10)-triene-2,3,17-triol, (17.beta.)-, 2-Hydroxy-17beta-estradiol Solution in Acetonitrile, 100ug/mL, estra-1,3,5(10)-triene-2,3,17-triol (ACD/Name 4.0), (9beta,13alpha,14beta,17alpha)-estra-1,3,5(10)-triene-2,3,17-triol
Theoretical properties:
molecular_formula: C18H24O3
molecular_weight: 288.4 g/mol
exact_mass: 288.17254462 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 0
heavy_atom_count: 21
topological_polar_surface_area: 60.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 190 - 191 °C
Descriptions:
pubchem: 2-hydroxy-17beta-estradiol is a 2-hydroxy steroid that consists of 17beta-estradiol having an additional hydroxy group at position 2. It has a role as a metabolite, a prodrug, a carcinogenic agent, a mouse metabolite and a human metabolite. It is a 17beta-hydroxy steroid and a 2-hydroxy steroid. It is functionally related to a 17beta-estradiol.
chebi: A 2-hydroxy steroid that consists of 17β-estradiol having an additional hydroxy group at position 2.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 2-Hydroxyestradiol (2-OHE2), also known as estra-1,3,5(10)-triene-2,3,17β-triol, is an endogenous steroid, catechol estrogen, and metabolite of estradiol, as well as a positional isomer of estriol.