1.0 2011-09-21 00:39:27 UTC 2015-07-21 06:57:59 UTC FDB024073 7a-Hydroxyandrost-4-ene-3,17-dione 7alpha-Hydroxyandrost-4-ene-3,17-dione is an intermediate in androgen and estrogen metabolism. More specifically, it is an intermediate during the conversion of androst-4-ene-3,17-dione to testosterone or vice versa. [HMDB] 7a-Hydroxyandrostenedione 7alpha-Hydroxyandrost-4-ene-3,17-dione 7alpha-Hydroxyandrostenedione 7α-hydroxyandrost-4-ene-3,17-dione 7α-hydroxyandrostenedione C19H26O3 302.4079 302.188194698 (1S,2R,9R,10R,11S,15S)-9-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-ene-5,14-dione 7α-hydroxyandrostenedione 62-84-0 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2=CC(=O)CC[C@]12C InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15+,17-,18-,19-/m0/s1 LFWLQMQUJQUZBD-TYHLISGHSA-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 17-oxosteroids 3-oxo delta-4-steroids 7-hydroxysteroids Cyclic alcohols and derivatives Cyclohexenones Delta-4-steroids Hydrocarbon derivatives Organic oxides Secondary alcohols 17-oxosteroid 3-oxo-delta-4-steroid 3-oxosteroid 7-hydroxysteroid 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 17-oxo steroid 3-oxo steroid 7alpha-hydroxy steroid C19 steroids (androgens) and derivatives C19 steroids (androgens) and derivatives androstanoid Solid logp 2.03 ALOGPS logs -3.56 ALOGPS solubility 8.27e-02 g/l ALOGPS logp 2.62 ChemAxon pka_strongest_acidic 17.14 ChemAxon pka_strongest_basic -0.61 ChemAxon iupac (1S,2R,9R,10R,11S,15S)-9-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@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2=CC(=O)CC[C@]12C ChemAxon formula C19H26O3 ChemAxon inchi InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15+,17-,18-,19-/m0/s1 ChemAxon inchikey LFWLQMQUJQUZBD-TYHLISGHSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 85.2 ChemAxon polarizability 33.97 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24187 Specdb::CMs 31926 Specdb::CMs 31927 Specdb::CMs 39083 Specdb::CMs 99934 Specdb::CMs 99935 Specdb::CMs 146552 Specdb::MsMs 319600 Specdb::MsMs 319601 Specdb::MsMs 319602 Specdb::MsMs 366751 Specdb::MsMs 366752 Specdb::MsMs 366753 Specdb::MsMs 2463243 Specdb::MsMs 2463244 Specdb::MsMs 2463245 Specdb::MsMs 2499686 Specdb::MsMs 2499687 Specdb::MsMs 2499688 HMDB06771 27768 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823