1.0 2016-09-30 23:07:19 UTC 2020-05-21 16:28:51 UTC BMDB0004030 BMDB04030 21-Deoxycortisol 21-Deoxycortisol 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. 21-Deoxycortisol is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 21-Deoxycortisol participates in a number of enzymatic reactions, within cattle. In particular, 21-Deoxycortisol can be converted into 11b-hydroxyprogesterone; which is mediated by the enzyme steroid 17-alpha-hydroxylase/17,20 lyase. In addition, 21-Deoxycortisol can be converted into cortisol through its interaction with the enzyme steroid 21-hydroxylase. In cattle, 21-deoxycortisol is involved in the metabolic pathway called the steroidogenesis pathway. 11b,17-Dihydroxy-pregn-4-ene-3,20-dione 11b,17-Dihydroxy-progesterone 11b,17a-Dihydroxypregn-4-ene-3,20-dione 11b,17a-Dihydroxyprogesterone 21-Dehydrohydrocortisone 21-Deoxyhydrocortisone 21-Desoxycortisol 4-Pregnene-11beta,17alpha-diol-3,20-dione Pregn-4-ene-11b,17a-diol-3,20-dione C21H30O4 346.4605 346.214409448 (1S,2R,10S,11S,14R,15S,17R)-14-acetyl-14,17-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one 21-deoxycortisol 641-77-0 [H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C InChI=1S/C21H30O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-/m0/s1 LCZBQMKVFQNSJR-CZUPSRJTSA-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 11-alpha-hydroxysteroids 17-hydroxysteroids 20-oxosteroids 3-oxo delta-4-steroids Alpha-hydroxy ketones Cyclic alcohols and derivatives Cyclohexenones Delta-4-steroids Hydrocarbon derivatives Organic oxides Secondary alcohols Tertiary alcohols 11-alpha-hydroxysteroid 11-hydroxysteroid 17-hydroxysteroid 20-oxosteroid 3-oxo-delta-4-steroid 3-oxosteroid Alcohol Aliphatic homopolycyclic compound Alpha-hydroxy ketone Carbonyl group Cyclic alcohol Cyclic ketone Cyclohexenone Delta-4-steroid Hydrocarbon derivative Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Progestogin-skeleton Secondary alcohol Tertiary alcohol Aliphatic homopolycyclic compounds Solid logp 2.29 ALOGPS logs -3.76 ALOGPS logp 2.09 ChemAxon pka_strongest_acidic 12.69 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac (1S,2R,10S,11S,14R,15S,17R)-14-acetyl-14,17-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one ChemAxon average_mass 346.4605 ChemAxon mono_mass 346.214409448 ChemAxon smiles [H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C ChemAxon formula C21H30O4 ChemAxon inchi InChI=1S/C21H30O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-/m0/s1 ChemAxon inchikey LCZBQMKVFQNSJR-CZUPSRJTSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 95.7 ChemAxon polarizability 38.59 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 2 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::MsMs 304801 Specdb::MsMs 304802 Specdb::MsMs 304803 Specdb::MsMs 348097 Specdb::MsMs 348098 Specdb::MsMs 348099 Specdb::MsMs 2795906 Specdb::MsMs 2795907 Specdb::MsMs 2795908 Specdb::MsMs 2887115 Specdb::MsMs 2887116 Specdb::MsMs 2887117 Specdb::CMs 17529 Specdb::CMs 38687 Specdb::CMs 149454 Adrenal Gland Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Testis Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 FDB023283 193458 222803 C05497 21-Deoxycortisol 7004 Hill, Martin; Lapcik, Oldrich; Hampl, Richard; Starka, Luboslav; Putz, Zdenek. Radioimmunoassay of three deoxycorticoids in human plasma following HPLC separation. Steroids (1995), 60(9), 615-20. BMDBP00010 Cytochrome P450 11B1, mitochondrial P15150 CYP11B1 Enzyme BMDBP00040 Steroid 17-alpha-hydroxylase/17,20 lyase P05185 CYP17A1 Enzyme BMDBP00060 Steroid 21-hydroxylase P00191 CYP21 Enzyme