1.0 2016-09-30 22:28:38 UTC 2020-04-22 15:02:57 UTC BMDB0000324 BMDB00324 3a,16a-Dihydroxyandrostenone 3a,16a-Dihydroxyandrost-5-en-17-one C19H28O3 304.4238 304.203844762 (1S,2S,10S,11S,13R,15R)-5,13-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-4-en-3-one 3a,16a-dihydroxyandrostenone 14167-51-2 [H][C@@]12C[C@@H](O)C[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)=CC(=O)[C@]12C InChI=1S/C19H28O3/c1-18-6-5-15-14(16(18)8-13(21)10-18)4-3-11-7-12(20)9-17(22)19(11,15)2/h9,11,13-16,20-21H,3-8,10H2,1-2H3/t11?,13-,14-,15+,16+,18-,19+/m1/s1 CUPQSMZELNNSIR-LZRZFMTJSA-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 16-alpha-hydroxysteroids 3-hydroxysteroids Cyclic alcohols and derivatives Cyclohexenones Enols Hydrocarbon derivatives Organic oxides Oxosteroids Secondary alcohols Vinylogous acids 1-oxosteroid 16-alpha-hydroxysteroid 16-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Androgen-skeleton Carbonyl group Cyclic alcohol Cyclohexenone Enol Hydrocarbon derivative Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Secondary alcohol Vinylogous acid Aliphatic homopolycyclic compounds Solid logp 2.09 ALOGPS logs -3.59 ALOGPS logp 2.94 ChemAxon pka_strongest_acidic 8.93 ChemAxon pka_strongest_basic -1.2 ChemAxon iupac (1S,2S,10S,11S,13R,15R)-5,13-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-4-en-3-one ChemAxon average_mass 304.4238 ChemAxon mono_mass 304.203844762 ChemAxon smiles [H][C@@]12C[C@@H](O)C[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)=CC(=O)[C@]12C ChemAxon formula C19H28O3 ChemAxon inchi InChI=1S/C19H28O3/c1-18-6-5-15-14(16(18)8-13(21)10-18)4-3-11-7-12(20)9-17(22)19(11,15)2/h9,11,13-16,20-21H,3-8,10H2,1-2H3/t11?,13-,14-,15+,16+,18-,19+/m1/s1 ChemAxon inchikey CUPQSMZELNNSIR-LZRZFMTJSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 86.95 ChemAxon polarizability 34.95 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 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 23878 Specdb::CMs 37431 Specdb::MsMs 318907 Specdb::MsMs 318908 Specdb::MsMs 318909 Specdb::MsMs 365848 Specdb::MsMs 365849 Specdb::MsMs 365850 FDB021950 13628060 5313