purpurogallin (CHEBI:8647)

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ChEBI Name	purpurogallin

ChEBI ID	CHEBI:8647

Definition	A cyclic ketone that is 5H-benzocycloheptene bearing an oxo group at position 5 and hydroxy groups at positions 2, 3, 4 and 6.

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

Supplier Information

Download	Molfile XML SDF

Formula

C11H8O5

Net Charge

Average Mass

220.17822

Monoisotopic Mass

220.03717

InChI

InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)

InChIKey

WDGFFVCWBZVLCE-UHFFFAOYSA-N

SMILES

Oc1cc2cccc(O)c(=O)c2c(O)c1O

Roles Classification
Chemical Role(s):	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.

Biological Role(s):	antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. 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).

Application(s):	protective agent Synthetic or natural substance which is given to prevent a disease or disorder or are used in the process of treating a disease or injury due to a poisonous agent.

ChEBI Ontology
Outgoing	purpurogallin (CHEBI:8647) has parent hydride 5H-benzocycloheptene (CHEBI:37513) purpurogallin (CHEBI:8647) has role antibacterial agent (CHEBI:33282) purpurogallin (CHEBI:8647) has role antioxidant (CHEBI:22586) purpurogallin (CHEBI:8647) has role EC 1.17.3.2 (xanthine oxidase) inhibitor (CHEBI:35634) purpurogallin (CHEBI:8647) has role protective agent (CHEBI:50267) purpurogallin (CHEBI:8647) is a cyclic ketone (CHEBI:3992) purpurogallin (CHEBI:8647) is a phenols (CHEBI:33853) purpurogallin (CHEBI:8647) is a tetrol (CHEBI:33573)

IUPAC Name

2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one

Synonyms	Sources
2,3,4,6-tetrahydroxy-5H-benzocycloheptene-5-one	ChemIDplus
2,3,4,6-tetrahydroxybenzocyclohepten-5-one	ChemIDplus
Purpurogallin	KEGG COMPOUND
purpurogalline	ChemIDplus

Last Modified

26 February 2016

General Comment
2011-07-20	Purpurogallin is the aglycone of several glycosides foundin various nutgalls. It is used as an additive to various edible and inedible fats and oils, hydrocarbon fuels and lubricants to retard oxidation.