EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:7947 - pedalitin

Default Structure
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:
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).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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
2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-oneChemIDplus
2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-chromen-4-oneChEMBL
3',4',5,6-Tetrahydroxy-7-methoxyflavoneKEGG COMPOUND
3',4',5,6-Tetrahydroxy-7-methoxyflavoneChemIDplus
PedalitinKEGG COMPOUND
Manual XrefsDatabases
C00003886KNApSAcK
C10119KEGG COMPOUND
HMDB0030804HMDB
LMPK12111231LIPID MAPS
Registry NumbersSources
Reaxys:1296526Reaxys
CAS:22384-63-0KEGG COMPOUND
CAS:22384-63-0ChemIDplus
Citations