CHEBI:2323 - 4-hydroxy-8-methoxyquinaldic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-hydroxy-8-methoxyquinaldic acid
ChEBI ID CHEBI:2323
Definition A quinolinemonocarboxylic acid that is kynurenic acid which is substituted by a methoxy group at position 8.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C11H9NO4
Net Charge 0
Average Mass 219.19350
Monoisotopic Mass 219.05316
InChI InChI=1S/C11H9NO4/c1-16-9-4-2-3-6-8(13)5-7(11(14)15)12-10(6)9/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKey BXZSKDOPGDPDEG-UHFFFAOYSA-N
SMILES COc1cccc2c(O)cc(nc12)C(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
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): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
carcinogenic agent
A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-hydroxy-8-methoxyquinaldic acid (CHEBI:2323) has functional parent kynurenic acid (CHEBI:18344)
4-hydroxy-8-methoxyquinaldic acid (CHEBI:2323) has role carcinogenic agent (CHEBI:50903)
4-hydroxy-8-methoxyquinaldic acid (CHEBI:2323) has role metabolite (CHEBI:25212)
4-hydroxy-8-methoxyquinaldic acid (CHEBI:2323) has role mouse metabolite (CHEBI:75771)
4-hydroxy-8-methoxyquinaldic acid (CHEBI:2323) is a monohydroxyquinoline (CHEBI:38775)
4-hydroxy-8-methoxyquinaldic acid (CHEBI:2323) is a quinolinemonocarboxylic acid (CHEBI:26512)
IUPAC Name
4-hydroxy-8-methoxyquinoline-2-carboxylic acid
Synonyms Sources
8-Methoxy-4-hydroxyquinoline-2-carboxylic acid ChemIDplus
8-Methoxykynurenate KEGG COMPOUND
Xanthurenic acid 8-methyl ether KEGG COMPOUND
Manual Xref Database
C05830 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
202789 Reaxys Registry Number Reaxys
2929-14-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
4886323 PubMed citation Europe PMC
5752908 PubMed citation Europe PMC
6435892 PubMed citation Europe PMC
Last Modified
13 June 2016