EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:189746 - curcumin sulfate

ChEBI IDCHEBI:189746
ChEBI Namecurcumin sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O9S
Net Charge0
Average Mass448.449
Monoisotopic Mass448.08280
SMILESCOc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OS(=O)(=O)O)c(OC)c2)ccc1O
InChIInChI=1S/C21H20O9S/c1-28-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(21(12-15)29-2)30-31(25,26)27/h3-12,24H,13H2,1-2H3,(H,25,26,27)/b7-3+,8-4+
InChIKeyNEJVQQBBTRFOHB-FCXRPNKRSA-N
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 sulfate (CHEBI:189746) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
[4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] hydrogen sulate
Manual XrefsDatabases
34988878ChemSpider
DB14635DrugBank
Registry NumbersSources
CAS:339286-19-0ChemIDplus