1.0 2016-09-30 23:19:09 UTC 2020-04-22 15:16:31 UTC BMDB0005849 BMDB05849 4-Androstenediol Androst-4-ene-3beta,17beta-diol Androst-4-ene-3b,17b-diol Androst-4-ene-3β,17β-diol (3b,17b)-Androst-4-ene-3,17-diol 3b,17b-Dihydroxy-4-androstene 4-Androstene-3b,17b-diol Androst-4-en-3b,17b-diol D4-Androstene-3b,17b-diol (3beta,17beta)-Androst-4-ene-3,17-diol (3β,17β)-Androst-4-ene-3,17-diol 3beta,17beta-Dihydroxy-4-androstene 3β,17β-Dihydroxy-4-androstene 4-Androstenediol C19H30O2 290.4403 290.224580204 (1S,2R,5S,10R,11S,14S,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,14-diol (1S,2R,5S,10R,11S,14S,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,14-diol 1156-92-9 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C[C@@H](O)CC[C@]12C InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-17,20-21H,3-10H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1 BTTWKVFKBPAFDK-LOVVWNRFSA-N belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids Androgens and derivatives 17-hydroxysteroids 3-beta-hydroxysteroids 3-hydroxy delta-4-steroids Cyclic alcohols and derivatives Delta-4-steroids Hydrocarbon derivatives Secondary alcohols 17-hydroxysteroid 3-beta-hydroxysteroid 3-hydroxy-delta-4-steroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Androgen-skeleton Cyclic alcohol Delta-4-steroid Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic homopolycyclic compounds 3-hydroxy steroid Androstane and derivatives C19 steroids (androgens) and derivatives Solid logp 3.10 ALOGPS logs -3.78 ALOGPS logp 2.95 ChemAxon pka_strongest_acidic 17.5 ChemAxon pka_strongest_basic -0.82 ChemAxon iupac (1S,2R,5S,10R,11S,14S,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,14-diol ChemAxon average_mass 290.4403 ChemAxon mono_mass 290.224580204 ChemAxon smiles [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C[C@@H](O)CC[C@]12C ChemAxon formula C19H30O2 ChemAxon inchi InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-17,20-21H,3-10H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1 ChemAxon inchikey BTTWKVFKBPAFDK-LOVVWNRFSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 85.33 ChemAxon polarizability 34.38 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 2 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::CMs 13860 Specdb::CMs 38911 Specdb::CMs 155929 Specdb::MsMs 256335 Specdb::MsMs 256336 Specdb::MsMs 256337 Specdb::MsMs 276276 Specdb::MsMs 276277 Specdb::MsMs 276278 Specdb::MsMs 2808362 Specdb::MsMs 2808363 Specdb::MsMs 2808364 Specdb::MsMs 2897886 Specdb::MsMs 2897887 Specdb::MsMs 2897888 FDB023781 120071 DB01526 34386 136297 C14210 4-Androstenediol