1.0 2016-09-30 23:04:30 UTC 2020-04-22 15:12:16 UTC BMDB0003422 BMDB03422 Boldione 1,4-Androstadiene-3,17-dione 1-Dehydroandrostenedione ADD ADT Androstadienedione Androst-1,4-diene-3,17-dione Boldione Androsta-1,4-diene-3, 17-dione Androsta-1,4-diene-3,17-dione Androstane-1,4-diene-3, 17-dione Androstra-1,4-diene-3,17-dione C19H24O2 284.3927 284.177630012 (1S,2R,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-diene-5,14-dione androsta-1,4-diene-3,17-dione 897-06-3 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C InChI=1S/C19H24O2/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/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1 LUJVUUWNAPIQQI-QAGGRKNESA-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-oxosteroids 3-oxo delta-1,4-steroids Cyclic ketones Delta-1,4-steroids Hydrocarbon derivatives Organic oxides 17-oxosteroid 3-oxo-delta-1,4-steroid 3-oxosteroid Aliphatic homopolycyclic compound Androgen-skeleton Carbonyl group Cyclic ketone Delta-1,4-steroid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Aliphatic homopolycyclic compounds 17-oxo steroid 3-oxo steroid Solid logp 2.78 ALOGPS logs -4.23 ALOGPS logp 3.93 ChemAxon pka_strongest_acidic 18.83 ChemAxon pka_strongest_basic -5 ChemAxon iupac (1S,2R,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-diene-5,14-dione ChemAxon average_mass 284.3927 ChemAxon mono_mass 284.177630012 ChemAxon smiles [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C ChemAxon formula C19H24O2 ChemAxon inchi InChI=1S/C19H24O2/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/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1 ChemAxon inchikey LUJVUUWNAPIQQI-QAGGRKNESA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 84.7 ChemAxon polarizability 32.47 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 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 12022 Specdb::CMs 161578 Specdb::MsMs 261540 Specdb::MsMs 261541 Specdb::MsMs 261542 Specdb::MsMs 281472 Specdb::MsMs 281473 Specdb::MsMs 281474 Specdb::MsMs 374617 Specdb::MsMs 447792 Specdb::MsMs 447793 Specdb::MsMs 447794 Specdb::MsMs 447795 Specdb::MsMs 447796 Specdb::MsMs 447797 Specdb::MsMs 447798 Specdb::MsMs 447799 Specdb::MsMs 447800 Specdb::MsMs 447801 Specdb::MsMs 447802 Specdb::MsMs 447803 Specdb::MsMs 451241 Specdb::MsMs 2812595 Specdb::MsMs 2812596 Specdb::MsMs 2812597 Specdb::MsMs 2895661 Specdb::MsMs 2895662 DB07373 FDB023170 12893 C20144 13472 40799 C00047005 Boldione Brzezowska, Ewa; Kowalski, Tadeusz. Method for obtaining androsta-1,4-diene-3,17-dione. Pol. (2007), 4pp.