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CHEBI:228640 - 2,6-di[2-chloro-4-(dimethylamino)benzylidene]cyclohexan-1-one

ChEBI IDCHEBI:228640
ChEBI Name2,6-di[2-chloro-4-(dimethylamino)benzylidene]cyclohexan-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26Cl2N2O
Net Charge0
Average Mass429.391
Monoisotopic Mass428.14222
SMILESCN(C)c1ccc(C=C2CCCC(=Cc3ccc(N(C)C)cc3Cl)C2=O)c(Cl)c1
InChIInChI=1S/C24H26Cl2N2O/c1-27(2)20-10-8-16(22(25)14-20)12-18-6-5-7-19(24(18)29)13-17-9-11-21(28(3)4)15-23(17)26/h8-15H,5-7H2,1-4H3
InChIKeyJYXJLAFLYANCKO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
2,6-di[2-chloro-4-(dimethylamino)benzylidene]cyclohexan-1-one (CHEBI:228640) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
2,6-bis[[2-chloro-4-(dimethylamino)phenyl]methylidene]cyclohexan-1-one
Manual XrefsDatabases
2085067ChemSpider