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

Default Structure
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:
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.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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
3',5'-O-DimethyltricetinKEGG COMPOUND
5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-oneChemIDplus
tricinChemIDplus
TricinKEGG COMPOUND
Manual XrefsDatabases
C00013329KNApSAcK
C10193KEGG COMPOUND
TricinWikipedia
Registry NumbersSources
Reaxys:322590Reaxys
CAS:520-32-1KEGG COMPOUND
CAS:520-32-1ChemIDplus