EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:187554 - Curcumin dimer 1

ChEBI IDCHEBI:187554
ChEBI NameCurcumin dimer 1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H38O12
Net Charge0
Average Mass734.754
Monoisotopic Mass734.23633
SMILESCOc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)OC(c3ccc(O)c(OC)c3)C2C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C42H38O12/c1-50-36-19-24(6-13-29(36)44)5-12-28(43)23-34(49)41-40(33(48)16-9-25-7-14-30(45)37(20-25)51-2)35(18-10-26-8-15-31(46)38(21-26)52-3)54-42(41)27-11-17-32(47)39(22-27)53-4/h5-23,41-47H,1-4H3/b12-5+,16-9+,18-10+,28-23-
InChIKeyYOTQIACVMONCAH-QWCKBZOHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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)
Curcumin dimer 1 (CHEBI:187554) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
(2Z,4E)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[2-(4-hydroxy-3-methoxyphenyl)-5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-2,3-dihydrouran-3-yl]penta-2,4-dien-1-one
Manual XrefsDatabases
HMDB0039450HMDB
35014801ChemSpider