1.02011-09-21 00:11:42 UTC2018-05-28 18:32:19 UTCFDB022296TetrahydrodeoxycorticosteroneThe neurosteroid allotetrahydrodeoxycorticosterone (THDOC) is an allosteric modulator of the GABA(A) receptor. Although the role of THDOC within the brain is undefined, recent studies indicate that stress induces THDOC to levels that can activate GABA(A) receptors. These results might have significant implications for human stress-sensitive conditions such as epilepsy, post-traumatic stress disorder and depression. (PMID 12628349) [HMDB]3a,21-Dihydroxy-5a-pregnan-20-one3alpha,21-Dihydroxy-5alpha-pregnan-20-one3alpha,21-Dihydroxy-5beta-pregnan-20-one3α,21-dihydroxy-5α-pregnan-20-one5-alpha-THDOC5a-THDOC5alpha-THDOC5α-thdocAllotetrahydrodeoxycorticosteronedeoxycorticosterone-21-aminopropaneTetrahydro-11-deoxycorticosteroneTetrahydrodeoxycorticosteroneC21H34O3334.4929334.2507949542-hydroxy-1-[(1S,2S,5R,7S,10R,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]ethan-1-onetetrahydrodeoxycorticosterone567-03-3[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12CInChI=1S/C21H34O3/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/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1CYKYBWRSLLXBOW-GDYGHMJCSA-N belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone.21-hydroxysteroidsOrganic compoundsLipids and lipid-like moleculesSteroids and steroid derivativesHydroxysteroidsAliphatic homopolycyclic compounds20-oxosteroids3-alpha-hydroxysteroidsAlpha-hydroxy ketonesCyclic alcohols and derivativesGluco/mineralocorticoids, progestogins and derivativesHydrocarbon derivativesOrganic oxidesPrimary alcoholsSecondary alcohols20-oxosteroid21-hydroxysteroid3-alpha-hydroxysteroid3-hydroxysteroidAlcoholAliphatic homopolycyclic compoundAlpha-hydroxy ketoneCarbonyl groupCyclic alcoholHydrocarbon derivativeKetoneOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxosteroidPregnane-skeletonPrimary alcoholProgestogin-skeletonSecondary alcohol21-hydroxy steroidGlycine conjugatesSolidlogp3.52logs-4.11solubility2.61e-02 g/llogp3.17pka_strongest_acidic13.86pka_strongest_basic-1.4iupac2-hydroxy-1-[(1S,2S,5R,7S,10R,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]ethan-1-oneaverage_mass334.4929mono_mass334.250794954smiles[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12CformulaC21H34O3inchiInChI=1S/C21H34O3/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/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1inchikeyCYKYBWRSLLXBOW-GDYGHMJCSA-Npolar_surface_area57.53refractivity94.61polarizability39.48rotatable_bond_count2acceptor_count3donor_count2physiological_charge0formal_charge0Specdb::MsMs72549Specdb::MsMs72550Specdb::MsMs72551Specdb::MsMs131508Specdb::MsMs131509Specdb::MsMs131510Specdb::MsMs2410831Specdb::MsMs2410832Specdb::MsMs2410833Specdb::MsMs2554636Specdb::MsMs2554637Specdb::MsMs2554638Specdb::CMs12891Specdb::CMs37821Specdb::CMs172269Specdb::CMs1080872Specdb::CMs1080874Specdb::CMs1080876Specdb::CMs1080878Specdb::CMs1080880Specdb::CMs1080882Specdb::CMs1080884Specdb::CMs1080886Specdb::CMs1080888Specdb::CMs1080890Specdb::CMs1080892Specdb::CMs1080894Specdb::CMs1080896Specdb::CMs1080898Specdb::CMs1080900Specdb::CMs1080902Specdb::CMs1080904HMDB00879#<Reference:0x0000555676080698>#<Reference:0x0000555676080468>#<Reference:0x0000555676080210>#<Reference:0x0000555676080008>#<Reference:0x000055567607fe28>#<Reference:0x000055567607fc48>#<Reference:0x000055567607fa40>#<Reference:0x000055567607f838>AnatidaeType 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