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CHEBI:64410 - gerfelin

Default Structure
ChEBI IDCHEBI:64410
ChEBI Namegerfelin
Stars
DefinitionA 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.
Last Modified24 April 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H14O6
Net Charge0
Average Mass290.271
Monoisotopic Mass290.07904
SMILESCc1cc(O)c(O)c(Oc2cc(C)c(C(=O)O)c(O)c2)c1
InChIInChI=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)
InChIKeyBGSIXQHNQUBHAX-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
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 Relation(s)
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 acidChEBI
Registry NumbersSources
Reaxys:11076226Reaxys
CAS:627545-07-7ChemIDplus
Citations