1.0 2011-09-21 00:06:04 UTC 2015-10-09 22:30:36 UTC FDB021966 2-Hydroxyestrone Estrone (also oestrone) is an estrogenic hormone secreted by the ovary. Its molecular formula is C18H22O2. estrone has a melting point of 254.5 degrees Celsius. estrone is one of the three estrogens, which also include estriol and estradiol. estrone is the least prevalent of the three hormones, estradiol being prevalent almost always in a female body, estriol being prevalent primarily during pregnancy. estrone sulfate is relevant to health and disease due to its conversion to estrone sulfate, a long-lived derivative of estrone. estrone sulfate acts as a pool of estrone which can be converted as needed to the more active estradiol. [HMDB] 2-Hydroxyestrone 2-OHE1 2,3-Dihydroxyestra-1,3,5(10)-trien-17-one Catecholestrone C18H22O3 286.3655 286.15689457 (1S,10R,11S,15S)-4,5-dihydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-one (1S,10R,11S,15S)-4,5-dihydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-one 362-06-1 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(O)=C3 InChI=1S/C18H22O3/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/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1 SWINWPBPEKHUOD-JPVZDGGYSA-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-oxosteroids 3-hydroxysteroids Hydrocarbon derivatives Ketones Organic oxides Phenanthrenes and derivatives Tetralins 1-hydroxy-2-unsubstituted benzenoid 17-oxosteroid 2-hydroxysteroid 3-hydroxysteroid Aromatic homopolycyclic compound Benzenoid Carbonyl group Estrogen-skeleton Hydrocarbon derivative Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Phenanthrene Tetralin 2-hydroxy steroid C18 steroids (estrogens) and derivatives C18 steroids (estrogens) and derivatives Solid logp 3.03 ALOGPS logs -4.09 ALOGPS solubility 2.33e-02 g/l ALOGPS logp 4.01 ChemAxon pka_strongest_acidic 9.67 ChemAxon pka_strongest_basic -6.3 ChemAxon iupac (1S,10R,11S,15S)-4,5-dihydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-one ChemAxon average_mass 286.3655 ChemAxon mono_mass 286.15689457 ChemAxon smiles [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(O)=C3 ChemAxon formula C18H22O3 ChemAxon inchi InChI=1S/C18H22O3/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/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1 ChemAxon inchikey SWINWPBPEKHUOD-JPVZDGGYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 81.06 ChemAxon polarizability 32.23 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1280 Specdb::NmrOneD 1338 Specdb::MsMs 552 Specdb::MsMs 553 Specdb::MsMs 554 Specdb::MsMs 311467 Specdb::MsMs 311468 Specdb::MsMs 311469 Specdb::MsMs 356479 Specdb::MsMs 356480 Specdb::MsMs 356481 Specdb::MsMs 2320280 Specdb::MsMs 2320281 Specdb::MsMs 2320282 Specdb::MsMs 2618801 Specdb::MsMs 2618802 Specdb::MsMs 2618803 Specdb::CMs 20421 Specdb::CMs 37447 Specdb::CMs 167397 Specdb::CMs 1059054 Specdb::CMs 1059056 Specdb::CMs 1059058 Specdb::CMs 1059060 Specdb::CMs 1059061 Specdb::CMs 1059063 Specdb::CMs 1059065 Specdb::CMs 1059067 Specdb::CMs 1059069 Specdb::CMs 1059071 Specdb::CMs 1059073 HMDB00343 1156 #<Reference:0x000055ce317c42a0> #<Reference:0x000055ce317c4098> #<Reference:0x000055ce317c3f30> #<Reference:0x000055ce317c3d78> #<Reference:0x000055ce317c3bc0> 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