1.0 2011-09-21 01:51:12 UTC 2018-05-28 18:38:24 UTC FDB029173 4-Methoxy-17beta-estradiol 2-Methoxyestradiol belongs to the family of drugs called angiogenesis inhibitors. It also acts as a vasodilator. [HMDB] 3,17beta-dihydroxy-4-methoxy-1,3,5[10]-estratriene 3,4,17beta-trihydroxy-1,3,5[10]-estratriene 4-methyl ether 4-MeOE2 4-methoxy-1,3,5[10]-estratriene-3,17beta-diol 4-methoxy-3,17beta-dihydroxy-1,3,5[10]-estratriene 4-methoxyestradiol C19H26O3 302.4079 302.188194698 (14S,15S)-6-methoxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-triene-5,14-diol (14S,15S)-6-methoxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-triene-5,14-diol 26788-23-8 COC1=C2CCC3C4CC[C@H](O)[C@@]4(C)CCC3C2=CC=C1O InChI=1S/C19H26O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12?,13?,15?,17-,19-/m0/s1 BCWZIZLVBYHFES-BHFCKAAKSA-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 Alkyl aryl ethers Anisoles Cyclic alcohols and derivatives Hydrocarbon derivatives Phenanthrenes and derivatives Secondary alcohols Tetralins 1-hydroxy-2-unsubstituted benzenoid 17-hydroxysteroid 3-hydroxysteroid Alcohol Alkyl aryl ether Anisole Aromatic homopolycyclic compound Benzenoid Cyclic alcohol Estrogen-skeleton Ether Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Phenanthrene Secondary alcohol Tetralin Solid logp 3.65 ALOGPS logs -4.46 ALOGPS solubility 1.05e-02 g/l ALOGPS logp 3.59 ChemAxon pka_strongest_acidic 10.34 ChemAxon pka_strongest_basic -0.88 ChemAxon iupac (14S,15S)-6-methoxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-triene-5,14-diol ChemAxon average_mass 302.4079 ChemAxon mono_mass 302.188194698 ChemAxon smiles COC1=C2CCC3C4CC[C@H](O)[C@@]4(C)CCC3C2=CC=C1O ChemAxon formula C19H26O3 ChemAxon inchi InChI=1S/C19H26O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12?,13?,15?,17-,19-/m0/s1 ChemAxon inchikey BCWZIZLVBYHFES-BHFCKAAKSA-N ChemAxon polar_surface_area 49.69 ChemAxon refractivity 86.37 ChemAxon polarizability 34.89 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12497 Specdb::CMs 39992 Specdb::MsMs 293518 Specdb::MsMs 293519 Specdb::MsMs 293520 Specdb::MsMs 334000 Specdb::MsMs 334001 Specdb::MsMs 334002 HMDB12782 28955