Chemical Component Summary

Name(7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid
SynonymsAntibiotic 1233A, Bound Form
Identifiers(7R,12R,13R)-13-(hydroxymethyl)-3,5,7-trimethyl-12-oxidanyl-14-oxidanylidene-tetradeca-2,4-dienoic acid
FormulaC18 H30 O5
Molecular Weight326.428
TypeNON-POLYMER
Isomeric SMILESC[C@H](CCCC[C@H]([C@@H](CO)C=O)O)CC(=CC(=CC(=O)O)C)C
InChIInChI=1S/C18H30O5/c1-13(8-14(2)9-15(3)10-18(22)23)6-4-5-7-17(21)16(11-19)12-20/h9-11,13,16-17,20-21H,4-8,12H2,1-3H3,(H,22,23)/b14-9+,15-10?/t13-,16-,17-/m1/s1
InChIKeyCJCDMTWCUXKYGF-QPILVHKNSA-N

Chemical Details

Formal Charge0
Atom Count53
Chiral Atom Count3
Bond Count52
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB07740 
Name(7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid
Groups experimental
Synonyms(7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid

Drug Targets

NameTarget SequencePharmacological ActionActions
Hydroxymethylglutaryl-CoA synthase, cytoplasmicMPGSLPLNAEACWPKDVGIVALEIYFPSQYVDQAELEKYDGVDAGKYTIG...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