1.0 2011-09-21 00:17:19 UTC 2025-11-19 02:42:10 UTC FDB022642 Epipregnanolone A pregnane found in the urine of pregnant women and sows. It has anesthetic, hypnotic, and sedative properties. It is a substrate of the enzyme 3beta-hydroxy-5beta-steroid dehydrogenase (EC 1.1.1.277). [HMDB] (3b,5b)-3-Hydroxypregnan-20-one (3beta,5beta)-3-Hydroxypregnan-20-one (3β,5β)-3-hydroxypregnan-20-one 3-Deoxo-3b-hydroxy-5b-dihydroprogesterone 3b-Hydroxy-5b-pregnan-20-one 3b-Hydroxy-5b-pregnane-20-one 3b-Hydroxy-5b-tetrahydroprogesterone 3b,5b-Pregnanolone 3beta-Hydroxy-5beta-pregnane-20-one 3beta-Hydroxy-5beta-tetrahydroprogesterone 3β-hydroxy-5β-pregnane-20-one 3β-hydroxy-5β-tetrahydroprogesterone 5b-Pregnan-3b-ol-20-one 5b-Pregnane-3b-hydroxy-20-one 5b-Pregnane-3b-ol-20-one Pregnanolone I C21H34O2 318.4935 318.255880332 1-[(1S,2S,5S,7R,10R,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]ethan-1-one 1-[(1S,2S,5S,7R,10R,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]ethanone 128-21-2 [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12C InChI=1S/C21H34O2/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/h14-19,23H,4-12H2,1-3H3/t14-,15+,16+,17-,18+,19+,20+,21-/m1/s1 AURFZBICLPNKBZ-GRWISUQFSA-N belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety. Gluco/mineralocorticoids, progestogins and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids Aliphatic homopolycyclic compounds 20-oxosteroids 3-beta-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Ketones Organic oxides Secondary alcohols 20-oxosteroid 3-beta-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Carbonyl group Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Progestogin-skeleton Secondary alcohol 3-hydroxy-5beta-pregnan-20-one 3beta-hydroxy steroid C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives Solid logp 4.28 ALOGPS logs -5.37 ALOGPS solubility 1.36e-03 g/l ALOGPS logp 3.99 ChemAxon pka_strongest_acidic 18.3 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac 1-[(1S,2S,5S,7R,10R,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]ethan-1-one ChemAxon average_mass 318.4935 ChemAxon mono_mass 318.255880332 ChemAxon smiles [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12C ChemAxon formula C21H34O2 ChemAxon inchi InChI=1S/C21H34O2/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/h14-19,23H,4-12H2,1-3H3/t14-,15+,16+,17-,18+,19+,20+,21-/m1/s1 ChemAxon inchikey AURFZBICLPNKBZ-GRWISUQFSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 92.91 ChemAxon polarizability 38.26 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21751 Specdb::CMs 31920 Specdb::CMs 38084 Specdb::CMs 99687 Specdb::CMs 146099 Specdb::MsMs 314359 Specdb::MsMs 314360 Specdb::MsMs 314361 Specdb::MsMs 360088 Specdb::MsMs 360089 Specdb::MsMs 360090 Specdb::MsMs 2804478 Specdb::MsMs 2804479 Specdb::MsMs 2804480 Specdb::MsMs 2874086 Specdb::MsMs 2874087 Specdb::MsMs 2874088 HMDB01471 16229 #<Reference:0x000055ce32b3f460> 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