CHEBI:81409 - irigenin

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ChEBI Name irigenin
ChEBI ID CHEBI:81409
Definition A hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 5, 7 and 3' and methoxy groups at positions 6, 4' and 5' respectively.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C18H16O8
Net Charge 0
Average Mass 360.31480
Monoisotopic Mass 360.085
InChI InChI=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
InChIKey TUGWPJJTQNLKCL-UHFFFAOYSA-N
SMILES COc1cc(cc(O)c1OC)-c1coc2cc(O)c(OC)c(O)c2c1=O
Metabolite of Species Details
Iris germanica (NCBI:txid34205) Found in rhizome (BTO:0001181). See: PubMed
Iris domestica (NCBI:txid58944) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 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 iridin (CHEBI:5963) has functional parent irigenin (CHEBI:81409)
Synonym Source
5,7,3'-trihydroxy-6,4',5'-trimethoxyisoflavone ChEBI
Manual Xrefs Databases
C17957 KEGG COMPOUND
Irigenin Wikipedia
LMPK12050417 LIPID MAPS
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Registry Numbers Types Sources
345805 Reaxys Registry Number Reaxys
548-76-5 CAS Registry Number KEGG COMPOUND
548-76-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
22071270 PubMed citation Europe PMC
25036154 PubMed citation Europe PMC
25204177 PubMed citation Europe PMC
Last Modified
17 November 2016