CI2

(5BETA)-PREGNANE-3,20-DIONE

Find entries where: CI2

is present as a standalone ligand in 2 entries

Find related ligands:

Chemical Component Summary
Name	(5BETA)-PREGNANE-3,20-DIONE
Identifiers	(5R,8R,9S,10S,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Formula	C₂₁ H₃₂ O₂
Molecular Weight	316.478
Type	NON-POLYMER
Isomeric SMILES	CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C
InChI	InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1
InChIKey	XMRPGKVKISIQBV-XWOJZHJZSA-N

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

Drug Info: DrugBank

DrugBank ID	DB07557 ?
Name	3,20-Pregnanedione
Groups	experimental
Synonyms	5β-pregnane-3,20-dione 5beta-pregnane-3,20-dione 3,20-Pregnanedione
CAS number	128-23-4

Drug Targets

Name	Target Sequence	Pharmacological Action
Nuclear receptor coactivator 1	MSGLGDSSSDPANPDSHKRKGSPCDTLASSTEKRRREQENKYLEELAELL...	unknown
Retinoic acid receptor RXR-alpha	MDTKHFLPLDFSTQVNSSLTSPTGRGSMAAPSLHPSLGPGIGSPGQLHSP...	unknown
Nuclear receptor subfamily 1 group I member 3	MASREDELRNCVVCGDQATGYHFNALTCEGCKGFFRRTVSKSIGPTCPFA...	unknown
3-oxo-5-beta-steroid 4-dehydrogenase	MDLSAASHRIPLSDGNSIPIIGLGTYSEPKSTPKGACATSVKVAIDTGYR...	unknown

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