C0R

CORTICOSTERONE

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

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7 entries where C0R is found as a standalone ligand1 entries where C0R is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	55
Chiral Atom Count	7
Bond Count	58
Aromatic Bond Count	0

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Chemical Component Summary
Name	CORTICOSTERONE
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
Formula	C₂₁ H₃₀ O₄
Molecular Weight	346.461
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(CO)C3C2(CC(O)C4C1(C(=CC(=O)CC1)CCC4C2CC3)C)C
SMILES	CACTVS	3.341	C[C]12C[CH](O)[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2C(=O)CO
SMILES	OpenEye OEToolkits	1.5.0	CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O
Canonical SMILES	CACTVS	3.341	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 SMILES	OpenEye OEToolkits	1.5.0	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
InChI	InChI	1.03	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
InChIKey	InChI	1.03	OMFXVFTZEKFJBZ-HJTSIMOOSA-N

Drug Info: DrugBank

DrugBank ID	DB04652
Name	Corticosterone
Groups	experimental
Description	An 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	(11β)-11,21-dihydroxypregn-4-ene-3,20-dione Corticosterone Kendall's compound B 11beta,21-Dihydroxy-4-pregnene-3,20-dione Reichstein's substance H 11β,21-dihydroxyprogesterone 17-deoxycortisol
Categories	11-Hydroxycorticosteroids Adrenal Cortex Hormones Anti-Inflammatory Agents Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Fused-Ring Compounds Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Hydroxycorticosteroids Pregnanes Pregnenediones Pregnenes Steroids
CAS number	50-22-6

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Corticosteroid 11-beta-dehydrogenase isozyme 1	MAFMKKYLLPILGLFMAYYYYSANEEFRPEMLQGKKVIVTGASKGIGREM...	unknown	substrate,product of
Nuclear receptor coactivator 1	MSGLGDSSSDPANPDSHKRKGSPCDTLASSTEKRRREQENKYLEELAELL...	unknown
Mineralocorticoid receptor	METKGYHSLPEGLDMERRWGQVSQAVERSSLGPTERTDENNYMEIVNVSC...	unknown
Cytochrome P450 3A4	MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI...	unknown	substrate
Corticosteroid 11-beta-dehydrogenase isozyme 1	MAFMKKYLLPILGLFMAYYYYSANEEFRPEMLQGKKVIVTGASKGIGREM...	unknown	substrate,product of
Corticosteroid 11-beta-dehydrogenase isozyme 2	MERWPWPSGGAWLLVAARALLQLLRSDLRLGRPLLAALALLAALDWLCQR...	unknown	substrate
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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