AS4

ALDOSTERONE

Created:2005-07-14
Last modified:  2021-03-13

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count7
Bond Count57
Aromatic Bond Count0
2D diagram of AS4

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

NameALDOSTERONE
Synonyms(11BETA)-11,21-DIHYDROXY-3,20-DIOXOPREGN-4-EN-18-AL
Systematic Name (OpenEye OEToolkits)(8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyethanoyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde
FormulaC21 H28 O5
Molecular Weight360.444
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(CO)C3C2(C=O)CC(O)C4C1(C(=CC(=O)CC1)CCC4C2CC3)C
SMILESCACTVS3.341C[C]12CCC(=O)C=C1CC[CH]3[CH]4CC[CH](C(=O)CO)[C]4(C[CH](O)[CH]23)C=O
SMILESOpenEye OEToolkits1.5.0CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C=O)O
Canonical SMILESCACTVS3.341 C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@]4(C[C@H](O)[C@H]23)C=O
Canonical SMILESOpenEye OEToolkits1.5.0 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C=O)O
InChIInChI1.03 InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
InChIKeyInChI1.03 PQSUYGKTWSAVDQ-ZVIOFETBSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB04630 
NameAldosterone
Groups
  • experimental
  • investigational
DescriptionA hormone secreted by the adrenal cortex that regulates electrolyte and water balance by increasing the renal retention of sodium and the excretion of potassium.
Synonyms
  • Aldosterone
  • 11beta,21-dihydroxy-3,20-dioxopregn-4-en-18-al
  • (11β)-11,21-dihydroxy-3,20-dioxopregn-4-en-18-al
  • Aldosterona
  • (+)-aldosterone
Categories
  • 11-Hydroxycorticosteroids
  • Adrenal Cortex Hormones
  • Corticosteroids
  • Corticosteroids for Systemic Use
  • Corticosteroids for Systemic Use, Plain
ATC-CodeH02AA01
CAS number52-39-1

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Solute carrier family 12 member 1MSLNNSSNVFLDSVPSNTNRFQVSVINENHESSAAADDNTDPPHYEETSF...unknownblocker
Mineralocorticoid receptorMETKGYHSLPEGLDMERRWGQVSQAVERSSLGPTERTDENNYMEIVNVSC...unknownagonist
Glucocorticoid receptorMDSKESLTPGREENPSSVLAQERGDVMDFYKTLRGGATVKVSASSPSLAV...unknown
Cytochrome P450 11B1, mitochondrialMALRAKAEVCMAVPWLSLQRAQALGTRAARVPRTVLPFEAMPRRPGNRWL...unknownsubstrate
Cytochrome P450 11B2, mitochondrialMALRAKAEVCVAAPWLSLQRARALGTRAARAPRTVLPFEAMPQHPGNRWL...unknownsubstrate
View More
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL273453
PubChem 5839
ChEMBL CHEMBL273453
ChEBI CHEBI:27584