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CHEBI:77770 - 3',5-dihydroxy-3,4',7-trimethoxyflavone(1−)

ChEBI IDCHEBI:77770
ChEBI Name3',5-dihydroxy-3,4',7-trimethoxyflavone(1−)
Stars
ASCII Name3',5-dihydroxy-3,4',7-trimethoxyflavone(1-)
DefinitionA flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of 3',5-dihydroxy-3,4',7-trimethoxyflavone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified19 July 2019
SubmitterAnne Morgat
DownloadsMolfile
FormulaC18H15O7
Net Charge-1
Average Mass343.311
Monoisotopic Mass343.08233
SMILESCOc1cc([O-])c2c(=O)c(OC)c(-c3ccc(OC)c(O)c3)oc2c1
InChIInChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-13(23-2)11(19)6-9/h4-8,19-20H,1-3H3/p-1
InChIKeyKPCRYSMUMBNTCK-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3',5-dihydroxy-3,4',7-trimethoxyflavone(1−) (CHEBI:77770) is a flavonoid oxoanion (CHEBI:60038)
3',5-dihydroxy-3,4',7-trimethoxyflavone(1−) (CHEBI:77770) is conjugate base of 3',5-dihydroxy-3,4',7-trimethoxyflavone (CHEBI:27825)
Incoming Relation(s)
3',5-dihydroxy-3,4',7-trimethoxyflavone (CHEBI:27825) is conjugate acid of 3',5-dihydroxy-3,4',7-trimethoxyflavone(1−) (CHEBI:77770)
IUPAC Name 
2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-4-oxo-4H-chromen-5-olate
Synonyms  Source
3,7,4'-O-trimethylquercetinChEBI
3,7,4'-tri-O-methylquercetin-5-olateChEBI
2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-4-oxo-4H-1-benzopyran-5-olateIUPAC
UniProt Name  Source
3',5-dihydroxy-3,4',7-trimethoxyflavoneUniProt