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CHEBI:3367 - capensinidin

ChEBI IDCHEBI:3367
ChEBI Namecapensinidin
Stars
DefinitionAn anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at positions 3 and 7, a methoxy group at position 5 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 2 respectively.
Last Modified4 June 2015
DownloadsMolfile
FormulaC18H17O7
Net Charge+1
Average Mass345.327
Monoisotopic Mass345.09688
SMILESCOc1cc(-c2[o+]c3cc(O)cc(OC)c3cc2O)cc(OC)c1O
InChIInChI=1S/C18H16O7/c1-22-13-6-10(19)7-14-11(13)8-12(20)18(25-14)9-4-15(23-2)17(21)16(5-9)24-3/h4-8H,1-3H3,(H2-,19,20,21)/p+1
InChIKeyGYLVPQXQQPMCKK-UHFFFAOYSA-O
Wikipedia
Species of MetaboliteComponentSourceComments
Plumbago auriculata (ncbitaxon:45172) flower (BTO:0000469) PubMed (22260638)
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)
capensinidin (CHEBI:3367) has role plant metabolite (CHEBI:76924)
capensinidin (CHEBI:3367) is a anthocyanidin cation (CHEBI:16366)
IUPAC Name 
3,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxy-1-benzopyran-1-ium
Manual XrefsDatabases
C08595KEGG COMPOUND
CapensinidinWikipedia
Registry NumbersSources
Reaxys:3915526Reaxys
CAS:19077-85-1KEGG COMPOUND
Citations