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CHEBI:61237 - 3-methylflavone-8-carboxylic acid

ChEBI IDCHEBI:61237
ChEBI Name3-methylflavone-8-carboxylic acid
Stars
DefinitionA member of the class of flavones that is flavone substituted at position 3 by a methyl group and at position 8 by a carboxylic acid group.
Last Modified1 February 2013
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H12O4
Net Charge0
Average Mass280.279
Monoisotopic Mass280.07356
SMILESCc1c(-c2ccccc2)oc2c(C(=O)O)cccc2c1=O
InChIInChI=1S/C17H12O4/c1-10-14(18)12-8-5-9-13(17(19)20)16(12)21-15(10)11-6-3-2-4-7-11/h2-9H,1H3,(H,19,20)
InChIKeyKMMBBZOSQNLLMN-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor  An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of a phosphoric diester hydrolase (EC 3.1.4.*).
ChEBI Ontology
Outgoing Relation(s)
3-methylflavone-8-carboxylic acid (CHEBI:61237) has role EC 3.1.4.* (phosphoric diester hydrolase) inhibitor (CHEBI:50218)
3-methylflavone-8-carboxylic acid (CHEBI:61237) is a flavones (CHEBI:24043)
3-methylflavone-8-carboxylic acid (CHEBI:61237) is a oxo monocarboxylic acid (CHEBI:35871)
Incoming Relation(s)
flavoxate (CHEBI:5088) has functional parent 3-methylflavone-8-carboxylic acid (CHEBI:61237)
IUPAC Name 
3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid
Synonyms  Source
8-carboxy-3-methylflavoneChemIDplus
3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylic acidChemIDplus
Manual XrefsDatabases
US3350411Patent
Registry NumbersSources
Reaxys:1433509Reaxys
CAS:3468-01-7ChemIDplus
Citations