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CHEBI:59979 - 3',5'-di-O-methyltricetin

ChEBI IDCHEBI:59979
ChEBI Name3',5'-di-O-methyltricetin
Stars
ASCII Name3',5'-di-O-methyltricetin
DefinitionThe 3',5'-di-O-methyl ether of tricetin. Known commonly as tricin, it is a constituent of rice bran and has been found to potently inhibit colon cancer cell growth.
Secondary ChEBI IDCHEBI:9694
Last Modified12 December 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC17H14O7
Net Charge0
Average Mass330.292
Monoisotopic Mass330.07395
SMILESCOc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1O
InChIInChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3
InChIKeyHRGUSFBJBOKSML-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Sinocalamus affinis (IPNI:421970-1) stem (BTO:0001300) PubMed (21469695) 95% Ethanolic extract of skin-removed, air-dried, powdered stems.
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor  A compound or agent that combines with cyclooxygenases (EC 1.14.99.1) and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of icosanoids, prostaglandins, and thromboxanes.
ChEBI Ontology
Outgoing Relation(s)
3',5'-di-O-methyltricetin (CHEBI:59979) has functional parent tricetin (CHEBI:507499)
3',5'-di-O-methyltricetin (CHEBI:59979) has role EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor (CHEBI:35544)
3',5'-di-O-methyltricetin (CHEBI:59979) has role metabolite (CHEBI:25212)
3',5'-di-O-methyltricetin (CHEBI:59979) is a 3'-methoxyflavones (CHEBI:138730)
3',5'-di-O-methyltricetin (CHEBI:59979) is a dimethoxyflavone (CHEBI:23798)
3',5'-di-O-methyltricetin (CHEBI:59979) is a trihydroxyflavone (CHEBI:27116)
3',5'-di-O-methyltricetin (CHEBI:59979) is conjugate acid of 3',5'-di-O-methyltricetin(1−) (CHEBI:60016)
Incoming Relation(s)
4'-O-β-glucosyl-7-O-(6-O-sinapoylglucosyl)tricin (CHEBI:75461) has functional parent 3',5'-di-O-methyltricetin (CHEBI:59979)
7-methoxytricin (CHEBI:67647) has functional parent 3',5'-di-O-methyltricetin (CHEBI:59979)
tricin 4'-O-(erythro-β-guaiacylglyceryl) ether 7-O-β-D-glucopyranoside (CHEBI:131866) has functional parent 3',5'-di-O-methyltricetin (CHEBI:59979)
tricin 4'-O-(erythro-β-guaiacylglyceryl) ether 7''-O-β-D-glucopyranoside (CHEBI:131769) has functional parent 3',5'-di-O-methyltricetin (CHEBI:59979)
tricin 4'-O-(erythro-β-guaiacylglyceryl) ether 9''-O-β-D-glucopyranoside (CHEBI:131773) has functional parent 3',5'-di-O-methyltricetin (CHEBI:59979)
tricin 4'-O-(threo-β-guaiacylglyceryl) ether 7-O-β-D-glucopyranoside (CHEBI:131774) has functional parent 3',5'-di-O-methyltricetin (CHEBI:59979)
tricin 5-O-β-D-glucoside (CHEBI:131775) has functional parent 3',5'-di-O-methyltricetin (CHEBI:59979)
tricin 7-O-(6''-O-malonyl)-β-D-glucopyranoside (CHEBI:131768) has functional parent 3',5'-di-O-methyltricetin (CHEBI:59979)
tricin 7-O-glucoside (CHEBI:75349) has functional parent 3',5'-di-O-methyltricetin (CHEBI:59979)
tricin 7-O-neohesperidoside (CHEBI:131777) has functional parent 3',5'-di-O-methyltricetin (CHEBI:59979)
tricin 7-O-β-D-glucoside (CHEBI:131776) has functional parent 3',5'-di-O-methyltricetin (CHEBI:59979)
3',5'-di-O-methyltricetin(1−) (CHEBI:60016) is conjugate base of 3',5'-di-O-methyltricetin (CHEBI:59979)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-chromen-4-one
Synonyms  Source
TricinKEGG COMPOUND
tricinChemIDplus
5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-oneChemIDplus
3',5'-O-DimethyltricetinKEGG COMPOUND
Manual XrefsDatabases
C10193KEGG COMPOUND
TricinWikipedia
C00013329KNApSAcK
Registry NumbersSources
Reaxys:322590Reaxys
CAS:520-32-1KEGG COMPOUND
CAS:520-32-1ChemIDplus