gerfelin (CHEBI:64410)

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ChEBI Name	gerfelin

ChEBI ID	CHEBI:64410

Definition	A member of the class of benzoic acids that is salicylic acid which is substituted at position 6 by a methyl group and at position 4 by a 2,3-dihydroxy-5-methylphenoxy group.

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

Supplier Information

Download	Molfile XML SDF

Formula

C15H14O6

Net Charge

Average Mass

290.26810

Monoisotopic Mass

290.07904

InChI

InChI=1S/C15H14O6/c1-7-3-11(17)14(18)12(4-7)21-9-5-8(2)13(15(19)20)10(16)6-9/h3-6,16-18H,1-2H3,(H,19,20)

InChIKey

BGSIXQHNQUBHAX-UHFFFAOYSA-N

SMILES

Cc1cc(O)c(O)c(Oc2cc(C)c(C(O)=O)c(O)c2)c1

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	EC 2.5.1.29 (geranylgeranyl diphosphate synthase) inhibitor An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of geranylgeranyl diphosphate synthase (EC 2.5.1.29). metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	gerfelin (CHEBI:64410) has role EC 2.5.1.29 (geranylgeranyl diphosphate synthase) inhibitor (CHEBI:64411) gerfelin (CHEBI:64410) has role metabolite (CHEBI:25212) gerfelin (CHEBI:64410) is a aromatic ether (CHEBI:35618) gerfelin (CHEBI:64410) is a benzoic acids (CHEBI:22723) gerfelin (CHEBI:64410) is a catechols (CHEBI:33566)

Synonym	Source
4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoic acid	ChEBI

Last Modified

24 April 2012