Chemical Component Summary

Name(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL
SynonymsOXY-COPE-HAPTEN
Identifiers4-[[4-[(1R,2S,4S)-2-hydroxy-4-phenyl-cyclohexyl]phenyl]carbonylamino]butanoic acid
FormulaC23 H27 N O4
Molecular Weight381.465
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)[C@H]2CC[C@@H]([C@H](C2)O)c3ccc(cc3)C(=O)NCCCC(=O)O
InChIInChI=1S/C23H27NO4/c25-21-15-19(16-5-2-1-3-6-16)12-13-20(21)17-8-10-18(11-9-17)23(28)24-14-4-7-22(26)27/h1-3,5-6,8-11,19-21,25H,4,7,12-15H2,(H,24,28)(H,26,27)/t19-,20+,21-/m0/s1
InChIKeyOBWILOKKNDYPLX-HBMCJLEFSA-N

Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count3
Bond Count57
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB07909 
Name(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL
Groups experimental
Synonyms(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL

Drug Targets

NameTarget SequencePharmacological ActionActions
Uncharacterized proteinMDMRVLAQLLGLLLLCFPGARCDIQMTQSPSSLSASVGDTVTITCRASQD...unknown
Ig gamma-1 chain C regionASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGV...unknown
Ig kappa chain C regionTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGN...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

Related Resource References

Resource NameReference
PubChem 444394
ChEBI CHEBI:43278