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CHEBI:27767 - 3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone

Default Structure
ChEBI IDCHEBI:27767
ChEBI Name3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone
Stars
DefinitionA dimethoxyflavone that is the 3,7-di-O-methyl derivative of quercetagetin.
Secondary ChEBI IDsCHEBI:1318, CHEBI:11668, CHEBI:19821
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H14O8
Net Charge0
Average Mass346.291
Monoisotopic Mass346.06887
SMILESCOc1cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c(O)c1O
InChIInChI=1S/C17H14O8/c1-23-11-6-10-12(14(21)13(11)20)15(22)17(24-2)16(25-10)7-3-4-8(18)9(19)5-7/h3-6,18-21H,1-2H3
InChIKeyWGWGXVOAFMLMJZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone (CHEBI:27767) has functional parent quercetagetin (CHEBI:8695)
3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone (CHEBI:27767) is a dimethoxyflavone (CHEBI:23798)
3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone (CHEBI:27767) is a tetrahydroxyflavone (CHEBI:38684)
3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone (CHEBI:27767) is conjugate acid of 3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone(1−) (CHEBI:77769)
Incoming Relation(s)
3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone(1−) (CHEBI:77769) is conjugate base of 3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone (CHEBI:27767)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-3,7-dimethoxy-4H-chromen-4-one
Synonyms  Source
3',4',5,6-tetrahydroxy-3,7-dimethoxyflavoneChEBI
3',4',5,6-Tetrahydroxy-3,7-dimethoxyflavoneKEGG COMPOUND
3,7-dimethylquercetagetinChEBI
tomentinChEBI
Manual XrefsDatabases
C00004685KNApSAcK
C04581KEGG COMPOUND
C04581KEGG COMPOUND
CPD-10527MetaCyc
LMPK12112991LIPID MAPS
Registry NumbersSources
Reaxys:1440997Reaxys