1.0 2011-09-21 00:06:45 UTC 2015-07-21 06:56:56 UTC FDB021998 2-Hydroxyestradiol-3-methyl ether 2-Hydroxyestradiol-3-methylether is a methoxylated derivative of 2-hydroxyestradiol. 2-hydroxy estrogen metabolites can be converted to anticarcinogenic methoxylated metabolites (2-methoxyestrone and 2-methoxyestradiol, 2-hydroxyestrone and 2-hydroxyestradiol 3-methyl ether) by catechol O-methyltransferase (PMID: 11172156). 2-hydroxyestradiol 3-methyl ether has been found in the urine of pregnant women (along with other 2-hydroxyestrogen ethers) although the amounts are generally small (less than 5 ug/24 hours). (PMID: 966757). [HMDB] (17b)-3-methoxy-Estra-1,3,5(10)-triene-2,17-diol 2-Hydroxy-17b-estradiol 3-methyl ether 2-hydroxy-3-methoxyestradiol 2-Hydroxyestradiol 3-methyl ether 2-Hydroxyestradiol-3-methylether2-hydroxy-3-methoxy-17beta-estradiol 2,3,17beta-trihydroxy-1,3,5[10]-estratriene 2-methyl ether 2H3MeOE2 3-methoxy-1,3,5[10]-estratriene-2,17beta-diol 3-methoxy-Estra-1,3,5(10)-triene-2,17b-diol 3-O-Methyl-2-hydroxyestradiol 3,17beta-dihydroxy-2-methoxy-1,3,5[10]-estratriene C19H26O3 302.4079 302.188194698 (1S,10R,11S,14S,15S)-5-methoxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-triene-4,14-diol (1S,10R,11S,14S,15S)-5-methoxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-triene-4,14-diol 5976-65-8 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C(O)=C3 InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(22-2)16(20)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1 MMKYSUOJWFKECQ-SSTWWWIQSA-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 1-hydroxy-2-unsubstituted benzenoids 17-hydroxysteroids Alkyl aryl ethers Anisoles Cyclic alcohols and derivatives Hydrocarbon derivatives Phenanthrenes and derivatives Secondary alcohols Tetralins 1-hydroxy-2-unsubstituted benzenoid 17-hydroxysteroid 2-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 3.70 ALOGPS logs -4.48 ALOGPS solubility 9.93e-03 g/l ALOGPS logp 3.59 ChemAxon pka_strongest_acidic 10.32 ChemAxon pka_strongest_basic -0.88 ChemAxon iupac (1S,10R,11S,14S,15S)-5-methoxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-triene-4,14-diol ChemAxon average_mass 302.4079 ChemAxon mono_mass 302.188194698 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(O)=C3 ChemAxon formula C19H26O3 ChemAxon inchi InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(22-2)16(20)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1 ChemAxon inchikey MMKYSUOJWFKECQ-SSTWWWIQSA-N ChemAxon polar_surface_area 49.69 ChemAxon refractivity 86.37 ChemAxon polarizability 35.22 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10406 Specdb::CMs 37481 Specdb::CMs 135009 Specdb::CMs 142743 Specdb::CMs 1060109 Specdb::CMs 1060111 Specdb::CMs 1060114 Specdb::CMs 1060116 Specdb::CMs 1060117 Specdb::MsMs 42789 Specdb::MsMs 42790 Specdb::MsMs 42791 Specdb::MsMs 131190 Specdb::MsMs 131191 Specdb::MsMs 131192 Specdb::MsMs 2749282 Specdb::MsMs 2749283 Specdb::MsMs 2749284 Specdb::MsMs 2933136 Specdb::MsMs 2933137 Specdb::MsMs 2933138 HMDB00380 #<Reference:0x000055ce331c8e30> #<Reference:0x000055ce331c8c78> 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