Compound: Desoxycortone
SMILES: O=C1C=C2[C@]([C@@H]3[C@H]([C@H]4[C@]([C@@H](C(=O)CO)CC4)(C)CC3)CC2)(C)CC1
InChIKey: ZESRJSPZRDMNHY-YFWFAHHUSA-N
Synonyms: Desoxycortone, desoxycorticosterone, Deoxycorticosterone, 11-Deoxycorticosterone, 21-Hydroxyprogesterone, 64-85-7, Cortexone, Deoxycortone, Reichstein's substance Q, 11-Desoxycorticosterone, 4-Pregnen-21-ol-3,20-dione, Desossicortone, Kendall's desoxy compound B, 11-Dehydroxycorticosterone, Desoxycorticosteronum, 21-Hydroxy-4-pregnene-3,20-dione, Pregn-4-ene-3,20-dione, 21-hydroxy-, Desoxicortona, Desoxycortonum, DTXSID0045254, 40GP35YQ49, 21-hydroxy-Pregn-4-ene-3,20-dione, DTXCID8025254, CHEBI:16973, (8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one, 11 Decorticosterone, 11-Decorticosterone, 21 Hydroxyprogesterone, (8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta(a)phenanthren-3-one, 21 Hydroxy 4 pregnene 3,20 dione, acAtate de dAsoxycortone, RefChem:54955, H02AA02, (1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo(8.7.0.02,7.011,15)heptadec-6-en-5-one, 200-596-4, 11-Deoxy Corticosterone, Desoxicortonum, Corticosterone, 11-deoxy-, Progesterone, 21-hydroxy-, DOC, 1,2(3H)-Deoxycorticosterone, NSC 11319, MFCD00003661, MLS000028537, MLS001076270, 21-Hydroxy-3,20-dioxopregn-4-ene, Desoxycortone (INN), SMR000058340, DESOXYCORTONE [INN], Desossicortone [DCIT], [4-14C]-11-deoxycorticosterone, Desoxycortonum [INN-Latin], Desoxicortona [INN-Spanish], 1CA, 11-deoxy-Corticosterone, EINECS 200-596-4, Desoxycortone [INN:BAN], Deoxycortone;, Ormosurrenol;, UNII-40GP35YQ49, Corthormon;, Cortexone;, Decortene;, Ocriten;, Desoxycorticosteron, 'Reichstein Q', CAS-64-85-7, NCGC00016292-01, Deoxycorticosterone?, 11-Dcortic, Cortexon;Corticormon;, DOCA (Salt/Mix), Opera_ID_581, 21-hydroxy-Progesterone, Prestwick0_000957, Prestwick1_000957, Prestwick2_000957, Prestwick3_000957, bmse000535, SCHEMBL4065, CHEMBL1498, BSPBio_000954, Kendall's desoxy compound B;, Deoxycorticosterone (Standard), DESOXYCORTONE [MART.], SPBio_003103, DESOXYCORTONE [WHO-DD], BDBM8582, BPBio1_001050, GTPL2871, orb1306701, orb3141082, DEOXYCORTICOSTERONE [MI], hydroxy-4-pregnene-3,20-dione, MSK2205, 4-pregnene-3,20-dione-21-ol, HMS1570P16, HMS2097P16, HMS2235G07, HMS3714P16, D4-Pregnene-21-ol-3,20-dione, DESOXYCORTICOSTERONE [VANDF], Tox21_110356, Tox21_302402, CMC_13409, LMST02030087, MSK2205-100A, Delta4-Pregnene-21-ol-3,20-dione, 21-Hydroxy-D4-pregnane-3,20-dione, 21-Hydroxy-D4-pregnene-3,20-dione, AKOS005111365, MSK2205-1000A, Tox21_110356_1, CCG-220957, EBC-384095, FD21043, HY-113414R, 21-Hydroxypregn-4-ene-3,20-dione #, NCGC00021304-03, NCGC00021304-05, NCGC00256184-01, (1S,3aS,3bS,9aR,9bS,11aS)-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one, 21-Hydroxy-Delta4-pregnane-3,20-dione, 21-Hydroxy-Delta4-pregnene-3,20-dione, 21-Hydroxyprogesterone, >=97% (HPLC), AS-77189, SY272200, HY-113414, AB00490029, CS-0059402, Deoxycorticosterone; 11-Deoxy Corticosterone, NS00005226, (14beta)-21-hydroxypregn-4-ene-3,20-dione, C03205, D07792, G60883, Q948846, SR-01000003106, 21-HYDROXY-.DELTA.4-PREGNENE-3,20-DIONE, SR-01000003106-2, BRD-K98521173-001-03-8, BRD-K98521173-001-19-4, Desoxycorticosterone Solution in Acetonitrile, 1000ug/mL, Desoxycorticosterone Solution in Acetonitrile, 100ug/mL, BD5D7BC9-0CD8-404E-9BA0-F670962012F8, 4-PREGNEN-21-OL-3,20-DIONE; DOC; 21-HYDROXYPROGESTERONE, (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, (8S,10R,13S,17S)-17-(2-Hydroxy-acetyl)-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one, (8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one, (8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
Theoretical properties:
molecular_formula: C21H30O3
molecular_weight: 330.5 g/mol
exact_mass: 330.21949481 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 2
heavy_atom_count: 24
topological_polar_surface_area: 54.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 141 - 142 °C
solubility: 0.0595 mg/mL at 37 °C
Descriptions:
pubchem: 11-deoxycorticosterone is a mineralocorticoid that is progesterone substituted at position 21 by a hydroxy group. It has a role as a mouse metabolite and a human metabolite. It is a primary alpha-hydroxy ketone, a mineralocorticoid, a 21-hydroxy steroid, a 20-oxo steroid and a 3-oxo-Delta(4) steroid. It is functionally related to a progesterone.
chebi: A mineralocorticoid that is progesterone substituted at position 21 by a hydroxy group.
chembl: DESOXYCORTICOSTERONE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 11-Deoxycorticosterone (DOC), or simply deoxycorticosterone, also known as 21-hydroxyprogesterone, as well as desoxycortone (INN), deoxycortone, and cortexone, is a steroid hormone produced by the adrenal gland that possesses mineralocorticoid activity and acts as a precursor to aldosterone. It is an active (Na+-retaining) mineralocorticoid. As its names indicate, 11-deoxycorticosterone can be understood as the 21-hydroxy-variant of progesterone or as the 11-deoxy-variant of corticosterone.
DOCA is the abbreviation for the ester 11-deoxycorticosterone acetate.