1.0 2011-09-21 01:53:48 UTC 2015-07-21 06:59:41 UTC FDB029312 16-alpha-Hydroxyandrosterone A human metabolite taken as a putative food compound of mammalian origin [HMDB] C19H30O3 306.4397 306.219494826 (2S,5R,13R,15S)-5,13-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-one (2S,5R,13R,15S)-5,13-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-one C[C@]12CCC3C(CCC4C[C@H](O)CC[C@]34C)C1C[C@@H](O)C2=O 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/h11-16,20-21H,3-10H2,1-2H3/t11?,12-,13?,14?,15?,16-,18+,19+/m1/s1 HLQYTKUIIJTNHH-LIEJGXIJSA-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-alpha-hydroxysteroids 17-oxosteroids 3-alpha-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Ketones Organic oxides Secondary alcohols 16-alpha-hydroxysteroid 16-hydroxysteroid 17-oxosteroid 3-alpha-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Androgen-skeleton Carbonyl group Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Secondary alcohol Solid logp 2.82 ALOGPS logs -3.72 ALOGPS solubility 5.85e-02 g/l ALOGPS logp 2.9 ChemAxon pka_strongest_acidic 13.38 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac (2S,5R,13R,15S)-5,13-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-one ChemAxon average_mass 306.4397 ChemAxon mono_mass 306.219494826 ChemAxon smiles C[C@]12CCC3C(CCC4C[C@H](O)CC[C@]34C)C1C[C@@H](O)C2=O 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/h11-16,20-21H,3-10H2,1-2H3/t11?,12-,13?,14?,15?,16-,18+,19+/m1/s1 ChemAxon inchikey HLQYTKUIIJTNHH-LIEJGXIJSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 85.3 ChemAxon polarizability 35.32 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16260 Specdb::CMs 40070 Specdb::CMs 157697 Specdb::MsMs 301999 Specdb::MsMs 302000 Specdb::MsMs 302001 Specdb::MsMs 344617 Specdb::MsMs 344618 Specdb::MsMs 344619 Specdb::MsMs 2300028 Specdb::MsMs 2300029 Specdb::MsMs 2300030 Specdb::MsMs 2638915 Specdb::MsMs 2638916 Specdb::MsMs 2638917 HMDB13156