Compound: ALDOSTERONE
SMILES: O=C1C=C2[C@]([C@H]3[C@@H](O)C[C@]4(C=O)[C@@H](C(=O)CO)CC[C@H]4[C@@H]3CC2)(C)CC1
InChIKey: PQSUYGKTWSAVDQ-ZVIOFETBSA-N
Synonyms: ALDOSTERONE, 52-39-1, (+)-Aldosterone, Aldosterona, Aldosteronum, 11beta,21-Dihydroxypregn-4-ene-3,18,20-trione, 11beta,21-Dihydroxy-3,20-diketo-4-pregnen-18-al, (11BETA)-11,21-DIHYDROXY-3,20-DIOXOPREGN-4-EN-18-AL, 11beta,21-dihydroxy-3,20-dioxopregn-4-en-18-al, (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde, NSC-73856, 11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al, 11beta,21-dihydroxy-3,20-dioxo-pregn-4-ene-18-al, 4964P6T9RB, DTXSID7022419, CHEBI:27584, NSC73856, (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta(a)phenanthrene-13-carbaldehyde, RefChem:553942, DTXCID902419, H02AA01, (2R,14S,15R,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2-methyl-5-oxotetracyclo(8.7.0.02,7.011,15)heptadec-6-ene-15-carbaldehyde, 200-139-9, Aldocortin, Electrocortin, Aldocortene, Aldocorten, Elektrocortin, d-Aldosterone, Reichstein X, 18-Oxocorticosterone, [3H]aldosterone, Pregn-4-en-18-al, 11,21-dihydroxy-3,20-dioxo-, (11b)-, 11beta,21-Dihydroxy-3,20-diketopregn-4-ene-18-al, 18-Formyl-11beta,21-dihydroxy-4-pregnene-3,20-dione, NSC 73856, 11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al, 18,11-halbacetal, Aldosterone (INN), 11.beta.,21-Dihydroxypregn-4-ene-3,18,20-trione, Aldosteronum [INN-Latin], Aldosterona [INN-Spanish], ALDOSTERONE [INN], 18-Aldocorticosterone, Aldosterone [INN:BAN:DCF], [3H]-aldosterone, SMR000857170, EINECS 200-139-9, Aldosterone (Hemiacetal) (1.0mg/mL in Acetonitrile), BRN 3224996, UNII-4964P6T9RB, delta-Aldosterone, Aldosterone (Standard), 11,21-Dihydroxy-3,20-dioxopregn-4-en-18-al, Aldosterone 100 microg/mL in Acetonitrile, ALDOSTERONE [MI], SCHEMBL1675, ALDOSTERONE [MART.], ALDOSTERONE [WHO-DD], 11b,21-dihydroxy-3,20-dioxo-pregn-4-en-18-al, 4-08-00-03491 (Beilstein Handbook Reference), MLS001333163, MLS001333164, BIDD:ER0511, US10188667, Aldosterone, CHEMBL273453, GTPL2872, GTPL3452, orb1706268, orb3141068, Aldosterone, >=95% (HPLC), BDBM19214, MSK8524, (11beta)-11,21-dihydroxy-3,20-dioxo-Pregn-4-en-18-al, GLXC-23692, HMS2233D14, LMST02030026, MFCD00051136, MSK8524-100A, AKOS024462706, Aldosterone (1 mg/mL in Acetonitrile), DB04630, FA17269, HY-113313R, NCGC00164236-01, AS-69489, HY-113313, CS-0059576, NS00014784, Aldosterone Solution in Acetonitrile, 100ug/mL, C01780, D10528, 11b,21-Dihydroxypregn-4-ene-3,18,20-trione, Q184564, SR-01000838883, SR-01000838883-2, 11-beta,21-Dihydroxy-3,20-dioxopregn-4-en-18-al, 11beta,21-Dihydroxy-3,20-dioxo-pregn-4-en-18-al, 18-Formyl-11b,21-dihydroxy-4-pregnene-3, 20-dione, (11b)-11,21-Dihydroxy-3,20-dioxopregn-4-en-18-al, (11b)-11,21-dihydroxy-3,20-dioxo-pregn-4-en-18-al, 11-beta-18-Epoxy-18,21-dihydroxypregn-4-ene-3,20-dione, Pregn-4-en-18-al,21-dihydroxy-3,20-dioxo-, (11.beta.)-, Pregn-4-ene-3,20-dione, 11-beta,18-epoxy-18,21-dihydroxy-, Pregn-4-ene-3,20-dione, 11beta,18-epoxy-18,21-dihydroxy-, (11alpha,14beta,17alpha)-11,21-dihydroxy-3,20-dioxopregn-4-en-18-al, Pregn-4-ene-3,20-dione, 11,18-epoxy-18,21-dihydroxy-, (11-beta)-, 11,13-(Epoxymethano)-13H-cyclopenta(a)phenanthrene, pregn-4-ene-3,20-deriv., (1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2-methyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-15-carbaldehyde, (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-13H-cyclopenta[a]phenanthrene-13-carbaldehyde, 11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-13-carbaldehyde, Aldocorten; Aldocortene; (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-13H-cyclopenta[a]phenanthrene-13-carbaldehyde
Theoretical properties:
molecular_formula: C21H28O5
molecular_weight: 360.4 g/mol
exact_mass: 360.19367399 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 3
heavy_atom_count: 26
topological_polar_surface_area: 91.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
{"pubchem": "Aldosterone is a pregnane-based steroidal hormone produced by the outer-section (zona glomerulosa) of the adrenal cortex in the adrenal gland, and acts on the distal tubules and collecting ducts of the kidney to cause the conservation of sodium, secretion of potassium, increased water retention, and increased blood pressure. The overall effect of aldosterone is to increase reabsorption of ions and water in the kidney. It has a role as a mouse metabolite and a human metabolite. It is a steroid aldehyde, a primary alpha-hydroxy ketone, a mineralocorticoid, a 21-hydroxy steroid, an 11beta-hydroxy steroid, a 20-oxo steroid, a 18-oxo steroid, a 3-oxo-Delta(4) steroid and a C21-steroid hormone. It derives from a hydride of a pregnane.", "chebi": "A pregnane-based steroidal hormone produced by the outer-section (zona glomerulosa) of the adrenal cortex in the adrenal gland, and acts on the distal tubules and collecting ducts of the kidney to cause the conservation of sodium, secretion of potassium, increased water retention, and increased blood pressure. The overall effect of aldosterone is to increase reabsorption of ions and water in the kidney.", "chembl": "ALDOSTERONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.", "wikipedia": "Aldosterone is the main mineralocorticoid steroid hormone produced by the zona glomerulosa of the adrenal cortex in the adrenal gland. It is essential for sodium conservation in the kidney, salivary glands, sweat glands, and colon.  It plays a central role in the homeostatic regulation of blood pressure, plasma sodium (Na+), and potassium (K+) levels. It does so primarily by acting on the mineralocorticoid receptors in the distal tubules and collecting ducts of the nephron. It influences the reabsorption of sodium and excretion of potassium (from and into the tubular fluids, respectively) of the kidney, thereby indirectly influencing water retention or loss, blood pressure, and blood volume. When dysregulated, aldosterone is pathogenic and contributes to the development and progression of cardiovascular and kidney disease. Aldosterone has exactly the opposite function of the atrial natriuretic hormone secreted by the heart.\nAldosterone is part of the renin\u2013angiotensin\u2013aldosterone system. It has a plasma half-life of less than 20 minutes. Drugs that interfere with the secretion or action of aldosterone are in use as antihypertensives, like lisinopril, which lowers blood pressure by blocking the angiotensin-converting enzyme (ACE), leading to lower aldosterone secretion. The net effect of these drugs is to reduce sodium and water retention but increase the retention of potassium. In other words, these drugs stimulate the excretion of sodium and water in urine, while they block the excretion of potassium.\nAnother example is spironolactone, a potassium-sparing diuretic of the steroidal spirolactone group, which interferes with the aldosterone receptor (among others) leading to lower blood pressure by the mechanism described above.\nAldosterone was first isolated by Sylvia Tait (Simpson) and Jim Tait in 1953; in collaboration with Tadeusz Reichstein.\n\n"}