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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone
ChEBI ID CHEBI:27767
Definition A dimethoxyflavone that is the 3,7-di-O-methyl derivative of quercetagetin.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:19821, CHEBI:11668, CHEBI:1318
Supplier Information
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Formula C17H14O8
Net Charge 0
Average Mass 346.28826
Monoisotopic Mass 346.06887
InChI InChI=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
InChIKey WGWGXVOAFMLMJZ-UHFFFAOYSA-N
SMILES COc1cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c(O)c1O
ChEBI Ontology
Outgoing 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 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 Sources
3',4',5,6-Tetrahydroxy-3,7-dimethoxyflavone KEGG COMPOUND
3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone ChEBI
3,7-dimethylquercetagetin ChEBI
tomentin ChEBI
Manual Xrefs Databases
C00004685 KNApSAcK
C04581 KEGG COMPOUND
CPD-10527 MetaCyc
LMPK12112991 LIPID MAPS
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Registry Number Type Source
1440997 Reaxys Registry Number Reaxys
Last Modified
28 July 2014