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CHEBI:7947 - pedalitin

ChEBI IDCHEBI:7947
ChEBI Namepedalitin
Stars
DefinitionA tetrahydroxy-monohydroxy-flavone, with the four hydroxy groups at C-3',-4',-5 and 6, and the methoxy group at C-7. It has been isolated from a number of plant species, including Eremosparton songoricum, Rabdosia japonica and Ruellia tuberosa.
Secondary ChEBI IDCHEBI:589537
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H12O7
Net Charge0
Average Mass316.265
Monoisotopic Mass316.05830
SMILESCOc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1O
InChIInChI=1S/C16H12O7/c1-22-13-6-12-14(16(21)15(13)20)10(19)5-11(23-12)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3
InChIKeyQWUHUBDKQQPMQG-UHFFFAOYSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
EC 1.17.3.2 (xanthine oxidase) inhibitor  An EC 1.17.3.* (oxidoreductase acting on CH or CH2 with oxygen as acceptor) inhibitor that interferes with the action of xanthine oxidase (EC 1.17.3.2).
ChEBI Ontology
Outgoing Relation(s)
pedalitin (CHEBI:7947) has role EC 1.17.3.2 (xanthine oxidase) inhibitor (CHEBI:35634)
pedalitin (CHEBI:7947) has role metabolite (CHEBI:25212)
pedalitin (CHEBI:7947) is a monomethoxyflavone (CHEBI:25401)
pedalitin (CHEBI:7947) is a tetrahydroxyflavone (CHEBI:38684)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-chromen-4-one
Synonyms  Source
PedalitinKEGG COMPOUND
2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-chromen-4-oneChEMBL
2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-oneChemIDplus
3',4',5,6-Tetrahydroxy-7-methoxyflavoneChemIDplus
3',4',5,6-Tetrahydroxy-7-methoxyflavoneKEGG COMPOUND
Manual XrefsDatabases
C10119KEGG COMPOUND
HMDB0030804HMDB
LMPK12111231LIPID MAPS
C00003886KNApSAcK
Registry NumbersSources
Reaxys:1296526Reaxys
CAS:22384-63-0KEGG COMPOUND
CAS:22384-63-0ChemIDplus
Citations