1.0 2016-09-30 23:25:40 UTC 2020-04-22 15:18:29 UTC BMDB0006759 BMDB06759 3a-Hydroxy-5b-pregnane-20-one 3a-Hydroxy-5b-pregnane-20-one 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. 3a-Hydroxy-5b-pregnane-20-one is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 3a-Hydroxy-5b-pregnane-20-one can be converted into 5a-pregnane-3,20-dione; which is catalyzed by the enzyme aldo-keto reductase family 1 member C4. In cattle, 3a-hydroxy-5b-pregnane-20-one is involved in the metabolic pathway called the steroidogenesis pathway. 3alpha-Hydroxy-5beta-pregnane-20-one C21H34O2 318.4935 318.255880332 1-[(2S,5R,7R,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]ethan-1-one pregnanolone [H][C@]12CCC3C4CC[C@H](C(C)=O)[C@@]4(C)CCC3[C@@]1(C)CC[C@@H](O)C2 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-KCZNCWLVSA-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. Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids Gluco/mineralocorticoids, progestogins and derivatives 20-oxosteroids 3-alpha-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Ketones Organic oxides Secondary alcohols 20-oxosteroid 3-alpha-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 Aliphatic homopolycyclic compounds Solid logp 4.28 ALOGPS logs -5.37 ALOGPS logp 3.99 ChemAxon pka_strongest_acidic 18.3 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac 1-[(2S,5R,7R,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]ethan-1-one ChemAxon average_mass 318.4935 ChemAxon mono_mass 318.255880332 ChemAxon smiles [H][C@]12CCC3C4CC[C@H](C(C)=O)[C@@]4(C)CCC3[C@@]1(C)CC[C@@H](O)C2 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-KCZNCWLVSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 92.91 ChemAxon polarizability 38.36 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 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 Steroidogenesis SMP0087238 Specdb::CMs 9731 Specdb::CMs 39074 Specdb::CMs 155365 Specdb::MsMs 287482 Specdb::MsMs 287483 Specdb::MsMs 287484 Specdb::MsMs 326347 Specdb::MsMs 326348 Specdb::MsMs 326349 Specdb::MsMs 2749195 Specdb::MsMs 2749196 Specdb::MsMs 2749197 Specdb::MsMs 2933148 Specdb::MsMs 2933149 Specdb::MsMs 2933150 FDB024063 23141070 24779614 C05480 88767