1.0 2016-09-30 23:19:16 UTC 2020-04-22 15:16:33 UTC BMDB0005896 BMDB05896 4-hydroxyestradiol 1,3,5[10]-Estratriene-3,4,17beta-triol 3,4,17beta-Estriol 3,4,17beta-Trihydroxy-1,3,5[10]-estratriene 4,17 Dihydroxy estradiol 4-Hydroxy-17beta-estradiol 4-Hydroxy-estradiol 4-Hydroxyestradiol-17 beta 4-Hydroxyestradiol-17beta 4-OH-Estradiol 4OHE2 4-Hydroxyestradiol-17 alpha 4-Hydroxyestradiol C18H24O3 288.3814 288.172544634 (14S,15S)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-triene-5,6,14-triol (14S,15S)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-triene-5,6,14-triol 5976-61-4 C[C@]12CCC3C(CCC4=C3C=CC(O)=C4O)C1CC[C@@H]2O InChI=1S/C18H24O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,19-21H,2-3,5,7-9H2,1H3/t11?,12?,14?,16-,18-/m0/s1 QOZFCKXEVSGWGS-JNYWYMJGSA-N belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane. Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Estrane steroids Estrogens and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 17-hydroxysteroids 3-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Phenanthrenes and derivatives Polyols Secondary alcohols Tetralins 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 17-hydroxysteroid 3-hydroxysteroid 4-hydroxysteroid Alcohol Aromatic homopolycyclic compound Benzenoid Cyclic alcohol Estrogen-skeleton Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Phenanthrene Polyol Secondary alcohol Tetralin Aromatic homopolycyclic compounds Solid logp 3.34 ALOGPS logs -3.64 ALOGPS logp 3.44 ChemAxon pka_strongest_acidic 9.69 ChemAxon pka_strongest_basic -0.88 ChemAxon iupac (14S,15S)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-triene-5,6,14-triol ChemAxon average_mass 288.3814 ChemAxon mono_mass 288.172544634 ChemAxon smiles C[C@]12CCC3C(CCC4=C3C=CC(O)=C4O)C1CC[C@@H]2O ChemAxon formula C18H24O3 ChemAxon inchi InChI=1S/C18H24O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,19-21H,2-3,5,7-9H2,1H3/t11?,12?,14?,16-,18-/m0/s1 ChemAxon inchikey QOZFCKXEVSGWGS-JNYWYMJGSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 81.89 ChemAxon polarizability 32.83 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 305374 Specdb::MsMs 305375 Specdb::MsMs 305376 Specdb::MsMs 348772 Specdb::MsMs 348773 Specdb::MsMs 348774 Specdb::CMs 17773 Specdb::CMs 38918 FDB023787 23205091 44348689 C14209 4-Hydroxyestradiol