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CHEBI:81409 - irigenin

ChEBI IDCHEBI:81409
ChEBI Nameirigenin
Stars
DefinitionA hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 5, 7 and 3' and methoxy groups at positions 6, 4' and 5' respectively.
Last Modified17 November 2016
DownloadsMolfile
FormulaC18H16O8
Net Charge0
Average Mass360.318
Monoisotopic Mass360.08452
SMILESCOc1cc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc(O)c1OC
InChIInChI=1S/C18H16O8/c1-23-13-5-8(4-10(19)17(13)24-2)9-7-26-12-6-11(20)18(25-3)16(22)14(12)15(9)21/h4-7,19-20,22H,1-3H3
InChIKeyTUGWPJJTQNLKCL-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Iris germanica (ncbitaxon:34205) rhizome (BTO:0001181) PubMed (25204177)
Iris domestica (ncbitaxon:58944) - PubMed (25036154)
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)
irigenin (CHEBI:81409) has functional parent isoflavone (CHEBI:18220)
irigenin (CHEBI:81409) has role plant metabolite (CHEBI:76924)
irigenin (CHEBI:81409) is a 4'-methoxyisoflavones (CHEBI:133959)
irigenin (CHEBI:81409) is a hydroxyisoflavone (CHEBI:38755)
Incoming Relation(s)
iridin (CHEBI:5963) has functional parent irigenin (CHEBI:81409)
Synonym  Source
5,7,3'-trihydroxy-6,4',5'-trimethoxyisoflavoneChEBI
Manual XrefsDatabases
C17957KEGG COMPOUND
IrigeninWikipedia
LMPK12050417LIPID MAPS
Registry NumbersSources
Reaxys:345805Reaxys
CAS:548-76-5KEGG COMPOUND
CAS:548-76-5ChemIDplus
Citations