1.0 2016-09-30 23:25:56 UTC 2020-04-22 15:18:34 UTC BMDB0006774 BMDB06774 16a-Hydroxyandrost-4-ene-3,17-dione 4-Androsten-16alpha-ol-3,17-dione 4-Androsten-16a-ol-3,17-dione 4-Androsten-16α-ol-3,17-dione 16 alpha-Hydroxyandrost-4-en-3,17-dione 16-Hydroxyandrost-4-en-3,17-dione 16-Hydroxyandrost-4-en-3,17-dione, (16alpha)-isomer 16-Hydroxyandrost-4-en-3,17-dione, (16beta)-isomer 16alpha-OHAD 16alpha-Hydroxyandrost-4-ene-3,17-dione 16alpha-Hydroxyandrostenedione 16a-Hydroxyandrost-4-ene-3,17-dione 16Α-hydroxyandrost-4-ene-3,17-dione C19H26O3 302.4079 302.188194698 (1S,2R,10R,11S,13R,15S)-13-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-ene-5,14-dione 4-androsten-16α-ol-3,17-dione 63-02-5 [H][C@@]12C[C@@H](O)C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C InChI=1S/C19H26O3/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/h9,13-16,21H,3-8,10H2,1-2H3/t13-,14+,15+,16-,18+,19+/m1/s1 SSBCZTXGVMMZOT-NBBHSKLNSA-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 17-oxosteroids 3-oxo delta-4-steroids Cyclic alcohols and derivatives Cyclohexenones Delta-4-steroids Hydrocarbon derivatives Organic oxides Secondary alcohols 16-alpha-hydroxysteroid 16-hydroxysteroid 17-oxosteroid 3-oxo-delta-4-steroid 3-oxosteroid Alcohol Aliphatic homopolycyclic compound Androgen-skeleton Carbonyl group Cyclic alcohol Cyclic ketone Cyclohexenone Delta-4-steroid Hydrocarbon derivative Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Secondary alcohol Aliphatic homopolycyclic compounds 16alpha-hydroxy steroid 17-oxo steroid 3-oxo steroid C19 steroids (androgens) and derivatives C19 steroids (androgens) and derivatives androstanoid Solid logp 2.32 ALOGPS logs -3.66 ALOGPS logp 3.06 ChemAxon pka_strongest_acidic 13.38 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac (1S,2R,10R,11S,13R,15S)-13-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-ene-5,14-dione ChemAxon average_mass 302.4079 ChemAxon mono_mass 302.188194698 ChemAxon smiles [H][C@@]12C[C@@H](O)C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C ChemAxon formula C19H26O3 ChemAxon inchi InChI=1S/C19H26O3/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/h9,13-16,21H,3-8,10H2,1-2H3/t13-,14+,15+,16-,18+,19+/m1/s1 ChemAxon inchikey SSBCZTXGVMMZOT-NBBHSKLNSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 85.1 ChemAxon polarizability 33.99 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 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 18759 Specdb::CMs 39085 Specdb::CMs 137723 Specdb::CMs 145457 Specdb::MsMs 307663 Specdb::MsMs 307664 Specdb::MsMs 307665 Specdb::MsMs 351664 Specdb::MsMs 351665 Specdb::MsMs 351666 Specdb::MsMs 2293143 Specdb::MsMs 2293144 Specdb::MsMs 2293145 Specdb::MsMs 2645589 Specdb::MsMs 2645590 Specdb::MsMs 2645591 C05140 389474 440574 FDB024076 27582