1.02010-04-08 22:07:07 UTC2018-05-29 00:40:55 UTCFDB006404DesoxycorticosterolDesoxycorticosterol, also known as 21-hydroxy-4-pregnene-3,20-dione or 21-hydroxyprogesterone, is a member of the class of compounds known as 21-hydroxysteroids. 21-hydroxysteroids are steroids carrying a hydroxyl group at the 21-position of the steroid backbone. Thus, desoxycorticosterol is considered to be a steroid lipid molecule. Desoxycorticosterol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Desoxycorticosterol can be synthesized from progesterone. Desoxycorticosterol can also be synthesized into 11-deoxycorticosterone-21-hemisuccinate and 5beta-dihydrodeoxycorticosterone. Desoxycorticosterol can be found in rice, which makes desoxycorticosterol a potential biomarker for the consumption of this food product. Desoxycorticosterol can be found primarily in amniotic fluid and blood, as well as throughout all human tissues. In humans, desoxycorticosterol is involved in the steroidogenesis. Desoxycorticosterol is also involved in several metabolic disorders, some of which include corticosterone methyl oxidase I deficiency (CMO I), 21-hydroxylase deficiency (CYP21), corticosterone methyl oxidase II deficiency - CMO II, and 11-beta-hydroxylase deficiency (CYP11B1). Desoxycorticosterol is a non-carcinogenic (not listed by IARC) potentially toxic compound.C21H30O3330.4611330.219494826(1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one(1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one64-85-7[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12CInChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1ZESRJSPZRDMNHY-YFWFAHHUSA-Nlogp3.10logs-4.30solubility1.67e-02 g/llogp3.33pka_strongest_acidic13.86pka_strongest_basic-3.3iupac(1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-oneaverage_mass330.4611mono_mass330.219494826smiles[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12CformulaC21H30O3inchiInChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1inchikeyZESRJSPZRDMNHY-YFWFAHHUSA-Npolar_surface_area54.37refractivity94.41polarizability38.19rotatable_bond_count2acceptor_count3donor_count1physiological_charge0formal_charge0Specdb::EiMs660Specdb::NmrTwoD924Specdb::NmrOneD1031Specdb::NmrOneD2561Specdb::NmrOneD3259Specdb::MsMs28Specdb::MsMs29Specdb::MsMs30Specdb::MsMs2547Specdb::MsMs2548Specdb::MsMs317086Specdb::MsMs317087Specdb::MsMs317088Specdb::MsMs363487Specdb::MsMs363488Specdb::MsMs363489Specdb::MsMs374770Specdb::MsMs451444Specdb::MsMs2244258Specdb::MsMs2245827Specdb::MsMs2246449Specdb::MsMs2247851Specdb::MsMs2250536Specdb::MsMs2251872Specdb::MsMs2754217Specdb::MsMs2754218Specdb::MsMs2754219Specdb::MsMs2951589Specdb::MsMs2951590Specdb::MsMs2951591Specdb::CMs2248Specdb::CMs22999Specdb::CMs27996Specdb::CMs29607Specdb::CMs30951Specdb::CMs37245Specdb::CMs135225Specdb::CMs142959Specdb::CMs1046974Specdb::CMs1046975Specdb::CMs1046977Specdb::CMs1046979Specdb::CMs1046981Specdb::CMs1046983Specdb::CMs1046985AnatidaeType 1specificAnatidae8830BeefaloType 1specificBos taurus X Bison bison297284BisonType 1specificBison bison9901BuffaloType 1specificBubalus bubalis89462Cattle (Beef, Veal)Type 1specificBos taurus9913ChickenType 1specificGallus gallus9031Columbidae (Dove, Pigeon)Type 1specificColumbidae8930DeerType 1specificCervidae9850Domestic goatType 1specificCapra aegagrus hircus9925Domestic pigType 1specificSus scrofa domestica9825ElkType 1specificCervus canadensis1574408EmuType 1specificDromaius novaehollandiae8790European rabbitType 1specificOryctolagus9984Greylag gooseType 1specificAnser anser8843Guinea henType 1specificNumida meleagris8996HorseType 1specificEquus caballus9796Mallard duckType 1specificAnas platyrhynchos8839Mountain hareType 1specificLepus timidus62621Mule deerType 1specificOdocoileus9871OstrichType 1specificStruthio camelus8801PheasantType 1specificPhasianus colchicus9054QuailType 1specificPhasianidae9005RabbitType 1specificLeporidae9979Rock ptarmiganType 1specificLagopus muta64668Sheep (Mutton, Lamb)Type 1specificOvis aries9940SquabType 1specificColumba8931TurkeyType 1specificMeleagris gallopavo9103Velvet duckType 1specificMelanitta fusca371864Wild boarType 1specificSus scrofa9823