CHEBI:64412 - 10-deoxygerfelin

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ChEBI Name 10-deoxygerfelin
ChEBI ID CHEBI:64412
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 3-hydroxy-5-methylphenoxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H14O5
Net Charge 0
Average Mass 274.26870
Monoisotopic Mass 274.084
InChI InChI=1S/C15H14O5/c1-8-3-10(16)6-11(4-8)20-12-5-9(2)14(15(18)19)13(17)7-12/h3-7,16-17H,1-2H3,(H,18,19)
InChIKey ZJEIMBOWRAUNAN-UHFFFAOYSA-N
SMILES Cc1cc(O)cc(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): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 10-deoxygerfelin (CHEBI:64412) has role metabolite (CHEBI:25212)
10-deoxygerfelin (CHEBI:64412) is a aromatic ether (CHEBI:35618)
10-deoxygerfelin (CHEBI:64412) is a benzoic acids (CHEBI:22723)
10-deoxygerfelin (CHEBI:64412) is a phenols (CHEBI:33853)
IUPAC Name
2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylbenzoic acid
Synonyms Sources
C-10-deoxy derivative of gerfelin ChEBI
C-10-deoxy gerfelin ChEBI
C-10-deoxygerfelin ChEBI
C10-deoxy derivative of gerfelin ChEBI
C10-deoxy gerfelin ChEBI
C10-deoxygerfelin ChEBI
Registry Number Type Source
2663280 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
20174687 PubMed citation Europe PMC
Last Modified
20 February 2013