Compound: TETRAHYDROCORTISOL
SMILES: O=C([C@]1(O)[C@@]2([C@H]([C@H]3[C@@H]([C@@]4([C@@H](C[C@H](O)CC4)CC3)C)[C@H](C2)O)CC1)C)CO
InChIKey: AODPIQQILQLWGS-GXBDJPPSSA-N
Synonyms: TETRAHYDROCORTISOL, Urocortisol, 53-02-1, Tetrahydrohydrocortisone, Tetrahydro F, Tetrahydrocompound F, 5beta-Tetrahydrocortisol, Cortisol, tetrahydro-, 3alpha,5beta-Tetrahydrocortisol, 3alpha,11beta,17,21-Tetrahydroxy-5beta-pregnan-20-one, 7P2O6MFN8O, NSC-57431, 5beta-Pregnan-20-one, 3alpha,11beta,17,21-tetrahydroxy-, CHEBI:28320, DTXSID601018917, Pregnan-20-one, 3,11,17,21-tetrahydroxy-, (3alpha,5beta,11beta)-, BA-2682, 5beta-Pregnane-3alpha,11beta,17alpha,21-tetrol-20-one, RefChem:932805, DTXCID401476931, 200-159-8, 5-beta-Tetrahydrocortisol, Ba 2682, 5.beta.-Tetrahydrocortisol, NSC 57431, 5b-Tetrahydrocortisol, 3-alpha,11-beta,17,21-Tetrahydroxy-5-beta-pregnan-20-one, 3alpha,11beta,17,21-Tetrahydroxypregnan-20-one, Pregnan-20-one, 3,11,17,21-tetrahydroxy-, (3a,5b,11b)-, 3.alpha.,5.beta.-Tetrahydrocortisol, 2-hydroxy-1-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone, 5-beta-Pregnan-20-one, 3-alpha,11-beta,17,21-tetrahydroxy-, 3.alpha.,11.beta.,17,21-Tetrahydroxy-5.beta.-pregnan-20-one, 5.beta.-Pregnan-20-one, 3.alpha.,11.beta.,17,21-tetrahydroxy-, Pregnan-20-one, 3,11,17,21-tetrahydroxy-, (3.alpha.,5.beta.,11.beta.)-, EINECS 200-159-8, UNII-7P2O6MFN8O, 5|A-Tetrahydrocortisol, 3a,5b-Tetrahydrocortisol, SCHEMBL93788, orb1706548, orb3141080, CHEMBL1908047, AODPIQQILQLWGS-GXBDJPPSSA-N, NSC57431, LMST02030143, MSK157328, AKOS040742718, MSK157328-100A, FT145628, MS-25872, HY-129630, CS-0107028, NS00079117, 3.alpha.,17,21-Tetrahydroxypregnan-20-one, C05472, G12182, Q7706545, 3alpha,11,17,21-Tetrahydroxy-5beta-pregnan-20-one, Tetrahydrocortisol Solution in Acetonitrile, 100ug/mL, 3.alpha.,11.beta.,17,21-Tetrahydroxypregnan-20-one, 5.beta.-Pregnan-20-one,11.beta.,17,21-tetrahydroxy-, 3,11,17,21-Tetrahydroxypregnan-20-one, (3.alpha.,11.beta.)-, 3.ALPHA.,11.BETA.,17,21-TETROL-5.BETA.-PREGNAN-20-ONE, 3-ALPHA,11-BETA,17-ALPHA,21-TETRAHYDROXY- 5-ALPHA-PREGNAN-20-ONE, 5.BETA.-PREGNANE-3.ALPHA.,11.BETA.,17.ALPHA.,21-TETROL-20-ONE, Pregnan-20-one,11,17,21-tetrahydroxy-, (3.alpha.,5.beta.,11.beta.)-, 3,11,17,21-TETRAHYDROXYPREGNAN-20-ONE, (3.ALPHA.,5.BETA.,11.BETA.)-, 3.ALPHA.,11.BETA.,17.ALPHA.,21-TETRAHYDROXY-5.BETA.-PREGNAN-20-ONE, 2-hydroxy-1-[(1S,2S,5R,7R,10S,11S,14R,15S,17S)-5,14,17-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0?,?.0??,??]heptadecan-14-yl]ethan-1-one
Theoretical properties:
molecular_formula: C21H34O5
molecular_weight: 366.5 g/mol
exact_mass: 366.24062418 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 2
heavy_atom_count: 26
topological_polar_surface_area: 98 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Tetrahydrocortisol is a primary alpha-hydroxy ketone, a tertiary alpha-hydroxy ketone, a glucocorticoid, a 17alpha-hydroxy steroid, a 21-hydroxy steroid, an 11beta-hydroxy steroid, a 3alpha-hydroxy steroid and a 20-oxo steroid. It derives from a hydride of a 5beta-pregnane.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Tetrahydrocortisol, or urocortisol, also known as 3α,11β,17α,21-tetrahydroxy-5β-pregnan-20-one, is a steroid and an inactive metabolite of cortisol.
Tetrahydrocortisol is a neurosteroid and has been found to act as a negative allosteric modulator of the GABAA receptor, similarly to pregnenolone sulfate.