EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:64410 - gerfelin

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:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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).
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