C0R

CORTICOSTERONE

Created: 2005-01-18
Last modified:  2021-03-13

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Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count7
Bond Count58
Aromatic Bond Count0
2D diagram of C0R

Chemical Component Summary

NameCORTICOSTERONE
Synonyms(11-BETA)-11,21-DIHYDROXY-PREGN-4-ENE-3,20-DIONE
Systematic Name (OpenEye OEToolkits)(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
FormulaC21 H30 O4
Molecular Weight346.461
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(CO)C3C2(CC(O)C4C1(C(=CC(=O)CC1)CCC4C2CC3)C)C
SMILESCACTVS3.341C[C]12C[CH](O)[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2C(=O)CO
SMILESOpenEye OEToolkits1.5.0CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O
Canonical SMILESCACTVS3.341 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
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
InChIInChI1.03 InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
InChIKeyInChI1.03 OMFXVFTZEKFJBZ-HJTSIMOOSA-N

Drug Info: DrugBank

DrugBank IDDB04652 
NameCorticosterone
Groups experimental
DescriptionAn adrenocortical steroid that has modest but significant activities as a mineralocorticoid and a glucocorticoid. (From Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed, p1437)
Synonyms
  • Corticosterone
  • 11β,21-dihydroxyprogesterone
  • Reichstein's substance H
  • 11beta,21-Dihydroxy-4-pregnene-3,20-dione
  • Kendall's compound B
Categories
  • 11-Hydroxycorticosteroids
  • Adrenal Cortex Hormones
  • Anti-Inflammatory Agents
  • Cytochrome P-450 CYP3A Substrates
  • Cytochrome P-450 CYP3A4 Substrates
CAS number50-22-6

Drug Targets

NameTarget SequencePharmacological ActionActions
Corticosteroid 11-beta-dehydrogenase isozyme 1MAFMKKYLLPILGLFMAYYYYSANEEFRPEMLQGKKVIVTGASKGIGREM...unknownsubstrate,product of
Nuclear receptor coactivator 1MSGLGDSSSDPANPDSHKRKGSPCDTLASSTEKRRREQENKYLEELAELL...unknown
Mineralocorticoid receptorMETKGYHSLPEGLDMERRWGQVSQAVERSSLGPTERTDENNYMEIVNVSC...unknown
Cytochrome P450 3A4MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI...unknownsubstrate
Corticosteroid 11-beta-dehydrogenase isozyme 1MAFMKKYLLPILGLFMAYYYYSANEEFRPEMLQGKKVIVTGASKGIGREM...unknownsubstrate,product of
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 CHEMBL110739
PubChem 5753
ChEMBL CHEMBL110739
ChEBI CHEBI:16827
CCDC/CSD CORTIC01, CORTIC