1.0 2011-09-21 01:54:03 UTC 2015-07-21 06:59:41 UTC FDB029327 5-Androstene-3alpha,16beta,17beta-triol A human metabolite taken as a putative food compound of mammalian origin [HMDB] C19H30O3 306.4397 306.219494826 (2R,5R,13S,14R,15S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-5,13,14-triol (2R,5R,13S,14R,15S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-5,13,14-triol C[C@]12CCC3C(CC=C4C[C@H](O)CC[C@]34C)C1C[C@H](O)[C@@H]2O InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-17,20-22H,4-10H2,1-2H3/t12-,13?,14?,15?,16+,17+,18+,19+/m1/s1 GUGSXATYPSGVAY-YAUITSCLSA-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. Androgens and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids Aliphatic homopolycyclic compounds 16-beta-hydroxysteroids 17-hydroxysteroids 3-alpha-hydroxysteroids 3-hydroxy delta-5-steroids Cyclic alcohols and derivatives Delta-5-steroids Hydrocarbon derivatives Polyols Secondary alcohols 16-beta-hydroxysteroid 16-hydroxysteroid 17-hydroxysteroid 3-alpha-hydroxysteroid 3-hydroxy-delta-5-steroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Androgen-skeleton Cyclic alcohol Delta-5-steroid Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Polyol Secondary alcohol Solid logp 2.17 ALOGPS logs -3.21 ALOGPS solubility 1.91e-01 g/l ALOGPS logp 1.72 ChemAxon pka_strongest_acidic 13.62 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac (2R,5R,13S,14R,15S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-5,13,14-triol ChemAxon average_mass 306.4397 ChemAxon mono_mass 306.219494826 ChemAxon smiles C[C@]12CCC3C(CC=C4C[C@H](O)CC[C@]34C)C1C[C@H](O)[C@@H]2O ChemAxon formula C19H30O3 ChemAxon inchi InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-17,20-22H,4-10H2,1-2H3/t12-,13?,14?,15?,16+,17+,18+,19+/m1/s1 ChemAxon inchikey GUGSXATYPSGVAY-YAUITSCLSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 86.84 ChemAxon polarizability 35.37 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 300121 Specdb::MsMs 300122 Specdb::MsMs 300123 Specdb::MsMs 342316 Specdb::MsMs 342317 Specdb::MsMs 342318 Specdb::CMs 15397 Specdb::CMs 40081 HMDB13199