pedalitin (CHEBI:7947)

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ChEBI Name	pedalitin

ChEBI ID	CHEBI:7947

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:589537

Supplier Information

Download	Molfile XML SDF

Formula

C16H12O7

Net Charge

Average Mass

316.26230

Monoisotopic Mass

316.05830

InChI

InChI=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

InChIKey

QWUHUBDKQQPMQG-UHFFFAOYSA-N

SMILES

COc1cc2oc(cc(=O)c2c(O)c1O)-c1ccc(O)c(O)c1

Roles Classification
Biological Role(s):	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	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	Sources
2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one	ChemIDplus
2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-chromen-4-one	ChEMBL
3',4',5,6-Tetrahydroxy-7-methoxyflavone	ChemIDplus
3',4',5,6-Tetrahydroxy-7-methoxyflavone	KEGG COMPOUND
Pedalitin	KEGG COMPOUND

Last Modified

28 July 2014