1.0 2011-09-21 00:06:06 UTC 2015-07-21 06:56:54 UTC FDB021967 2-Methoxyestradiol-3-methylether Generally refers to the 17-beta-isomer of estradiol, an aromatized C18 steroid with hydroxyl group at 3-beta- and 17-beta-position. estradiol-17-beta is the most potent form of mammalian estrogenic steroids. In humans, it is produced primarily by the cyclic ovaries and the placenta. It is also produced by the adipose tissue of men and postmenopausal women. The 17-alpha-isomer of estradiol binds weakly to estrogen receptors (receptors, estrogen) and exhibits little estrogenic activity in estrogen-responsive tissues. Various isomers can be synthesized. [HMDB] (17b)-2,3-dimethoxy-Estra-1,3,5(10)-trien-17-ol 2-Hydroxy-17b-estradiol 2,3-dimethyl ether 2-Hydroxyestradiol 2,3-dimethyl ether 2-Methoxy-17b-estradiol 3-methyl ether 2-Methoxyestradiol-3-O-methyl ether 2,3-dimethoxy-Estra-1,3,5(10)-trien-17b-ol C20H28O3 316.4345 316.203844762 (1S,10R,11S,14S,15S)-4,5-dimethoxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-14-ol (1S,10R,11S,14S,15S)-4,5-dimethoxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-14-ol 5976-67-0 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C(OC)=C3 InChI=1S/C20H28O3/c1-20-9-8-13-14(16(20)6-7-19(20)21)5-4-12-10-17(22-2)18(23-3)11-15(12)13/h10-11,13-14,16,19,21H,4-9H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1 AVCFXYYRWRZONV-BKRJIHRRSA-N belongs to the class of organic compounds known as estrane steroids. These are steroids with a structure based on the estrane skeleton. Estrane steroids Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Estrane steroids Aromatic homopolycyclic compounds 17-hydroxysteroids Alkyl aryl ethers Anisoles Cyclic alcohols and derivatives Hydrocarbon derivatives Phenanthrenes and derivatives Secondary alcohols Tetralins 17-hydroxysteroid Alcohol Alkyl aryl ether Anisole Aromatic homopolycyclic compound Benzenoid Cyclic alcohol Estrane-skeleton Ether Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Phenanthrene Secondary alcohol Tetralin C18 steroids (estrogens) and derivatives Solid logp 3.90 ALOGPS logs -5.44 ALOGPS solubility 1.15e-03 g/l ALOGPS logp 3.73 ChemAxon pka_strongest_acidic 19.38 ChemAxon pka_strongest_basic -0.88 ChemAxon iupac (1S,10R,11S,14S,15S)-4,5-dimethoxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-14-ol ChemAxon average_mass 316.4345 ChemAxon mono_mass 316.203844762 ChemAxon smiles [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C(OC)=C3 ChemAxon formula C20H28O3 ChemAxon inchi InChI=1S/C20H28O3/c1-20-9-8-13-14(16(20)6-7-19(20)21)5-4-12-10-17(22-2)18(23-3)11-15(12)13/h10-11,13-14,16,19,21H,4-9H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1 ChemAxon inchikey AVCFXYYRWRZONV-BKRJIHRRSA-N ChemAxon polar_surface_area 38.69 ChemAxon refractivity 90.85 ChemAxon polarizability 37.37 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23275 Specdb::CMs 37448 Specdb::CMs 154871 Specdb::CMs 1059075 Specdb::MsMs 317647 Specdb::MsMs 317648 Specdb::MsMs 317649 Specdb::MsMs 364159 Specdb::MsMs 364160 Specdb::MsMs 364161 Specdb::MsMs 2340507 Specdb::MsMs 2340508 Specdb::MsMs 2340509 Specdb::MsMs 2625503 Specdb::MsMs 2625504 Specdb::MsMs 2625505 HMDB00344 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