1.0 2011-09-21 00:05:56 UTC 2015-10-09 22:30:49 UTC FDB021962 2-Hydroxyestradiol 2-Hydroxyestradiol is generated from estradiol by a Cytochrome P450. 2-Hydroxyestradiol binds, with a low affinity, to estrogen receptors. It inhbits catechol-O-methyltransferase (COMT) activity. Inactivity of COMT blocks inactivation of catechol hormones and catecholamine neutransmitters. 2-Hydroxyestradiol is also reported to inhibit angiongensis and tumor cell growth (PMID: 9472688). [HMDB] (17b)-Estra-1,3, 5(10)-triene-2,3,17-triol (17b)-Estra-1,3,5(10)-triene-2,3,17-triol (17beta)- Estra-1,3, 5 (10)-triene-2,3,17-triol (17beta)-Estra-1,3,5(10)-triene-2,3,17-triol (17β)-estra-1,3,5(10)-triene-2,3,17-triol 1,3,5(10)-estratriene-2,3,17Beta-triol 17beta-2-Hydroxyestradiol 2-hydroxy-17beta-estradiol 2-hydroxy-estradiol 2-Hydroxyestradiol 2-Hydroxyestradiol-17b 2-Hydroxyestradiol-17beta 2-Hydroxyestradiol-17β 2-OH-e2 2-OH-Estradiol 2,3,17b-Trihydroxyestra-1,3,5(10)-triene ECS Estra-1,3,5 (10)-triene-2,3,17.beta.-triol Estra-1,3,5(10)-triene-2,3,17-beta-triol estra-1,3,5(10)-triene-2,3,17-triol (ACD/Name 4.0) Estra-1,3,5(10)-triene-2,3,17b-triol estra-1,3,5(10)-triene-2,3,17beta-triol C18H24O3 288.3814 288.172544634 (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-4,5,14-triol (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-4,5,14-triol 362-05-0 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(O)=C3 InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1 DILDHNKDVHLEQB-XSSYPUMDSA-N belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane. Estrogens and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Estrane steroids Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 17-hydroxysteroids 3-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Phenanthrenes and derivatives Polyols Secondary alcohols Tetralins 1-hydroxy-2-unsubstituted benzenoid 17-hydroxysteroid 2-hydroxysteroid 3-hydroxysteroid Alcohol Aromatic homopolycyclic compound Benzenoid Cyclic alcohol Estrogen-skeleton Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Phenanthrene Polyol Secondary alcohol Tetralin 17beta-hydroxy steroid 2-hydroxy steroid C18 steroids (estrogens) and derivatives C18 steroids (estrogens) and derivatives Estrane and derivatives Solid logp 3.39 ALOGPS logs -3.75 ALOGPS solubility 5.11e-02 g/l ALOGPS logp 3.44 ChemAxon pka_strongest_acidic 9.67 ChemAxon pka_strongest_basic -0.88 ChemAxon iupac (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-4,5,14-triol ChemAxon average_mass 288.3814 ChemAxon mono_mass 288.172544634 ChemAxon smiles [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(O)=C3 ChemAxon formula C18H24O3 ChemAxon inchi InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1 ChemAxon inchikey DILDHNKDVHLEQB-XSSYPUMDSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 81.89 ChemAxon polarizability 33.08 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 1335 Specdb::CMs 9456 Specdb::CMs 37443 Specdb::CMs 136730 Specdb::CMs 144464 Specdb::CMs 1058893 Specdb::CMs 1058895 Specdb::CMs 1058897 Specdb::CMs 1058899 Specdb::CMs 1058901 Specdb::CMs 1058903 Specdb::CMs 1058904 Specdb::CMs 1058906 Specdb::CMs 1058908 Specdb::CMs 1058910 Specdb::CMs 1058912 Specdb::CMs 1058914 Specdb::CMs 1058916 Specdb::NmrTwoD 1278 Specdb::MsMs 543 Specdb::MsMs 544 Specdb::MsMs 545 Specdb::MsMs 255555 Specdb::MsMs 255556 Specdb::MsMs 255557 Specdb::MsMs 275496 Specdb::MsMs 275497 Specdb::MsMs 275498 Specdb::MsMs 2420043 Specdb::MsMs 2420044 Specdb::MsMs 2420045 Specdb::MsMs 2545213 Specdb::MsMs 2545214 Specdb::MsMs 2545215 HMDB00338 28744 ECS #<Reference:0x000055ce33563a90> #<Reference:0x000055ce335638d8> #<Reference:0x000055ce33563720> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823