1.0 2011-09-21 01:53:26 UTC 2015-07-21 06:59:41 UTC FDB029294 7-Dehydropregnenolone 7-Dehydropregnenolone is a 21-carbon steroid, derived from cholesterol and found in steroid hormone-producing tissues. It is the precursor to Gonadal steroid hormones and the adrenal corticosteroid. 7-Dehydropregnenolone is the the single product of metabolism of 7-dehydrocholesterol by CYP11A1 (PMID 14657394) [HMDB] 7-DHP C21H30O2 314.4617 314.224580204 1-[(2R,5S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-7,9-dien-14-yl]ethan-1-one 1-[(2R,5S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-7,9-dien-14-yl]ethanone CC(=O)C1CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,15,17-19,23H,6-12H2,1-3H3/t15-,17?,18?,19?,20-,21+/m0/s1 QTVNPWWLYMFLEI-IOHSXPNESA-N belongs to the class of organic compounds known as 20-oxosteroids. These are steroid derivatives carrying a C=O group at the 20-position of the steroid skeleton. 20-oxosteroids Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Oxosteroids Aliphatic homopolycyclic compounds 3-beta-hydroxy delta-5-steroids 3-beta-hydroxysteroids 3-hydroxy delta-7-steroids Androgens and derivatives Cyclic alcohols and derivatives Delta-5-steroids Delta-7-steroids Hydrocarbon derivatives Ketones Organic oxides Secondary alcohols 20-oxosteroid 3-beta-hydroxy-delta-5-steroid 3-beta-hydroxysteroid 3-hydroxy-delta-5-steroid 3-hydroxy-delta-7-steroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Androgen-skeleton Androstane-skeleton Carbonyl group Cyclic alcohol Delta-5-steroid Delta-7-steroid Hydrocarbon derivative Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Solid logp 4.47 ALOGPS logs -4.11 ALOGPS solubility 2.43e-02 g/l ALOGPS logp 3.18 ChemAxon pka_strongest_acidic 18.27 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac 1-[(2R,5S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-7,9-dien-14-yl]ethan-1-one ChemAxon average_mass 314.4617 ChemAxon mono_mass 314.224580204 ChemAxon smiles CC(=O)C1CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C ChemAxon formula C21H30O2 ChemAxon inchi InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,15,17-19,23H,6-12H2,1-3H3/t15-,17?,18?,19?,20-,21+/m0/s1 ChemAxon inchikey QTVNPWWLYMFLEI-IOHSXPNESA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 94.61 ChemAxon polarizability 36.81 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24050 Specdb::CMs 40058 Specdb::CMs 133646 Specdb::CMs 141380 Specdb::MsMs 319294 Specdb::MsMs 319295 Specdb::MsMs 319296 Specdb::MsMs 366349 Specdb::MsMs 366350 Specdb::MsMs 366351 Specdb::MsMs 2658934 Specdb::MsMs 2658935 Specdb::MsMs 2658936 Specdb::MsMs 3050708 Specdb::MsMs 3050709 Specdb::MsMs 3050710 HMDB13121 #<Reference:0x000055ce307ba008>