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CHEBI:66821 - onosmin A

ChEBI IDCHEBI:66821
ChEBI Nameonosmin A
Stars
DefinitionAn aminobenzoic acid that is anthranilic acid in which one of the hydrogens of the amino group is replaced by a 4-methylbenzyl group. Isolated from Onosma hispida, it exhibits inhibitory activity against lipoxygenase.
Last Modified14 April 2015
DownloadsMolfile
FormulaC15H15NO2
Net Charge0
Average Mass241.290
Monoisotopic Mass241.11028
SMILESCc1ccc(CNc2ccccc2C(=O)O)cc1
InChIInChI=1S/C15H15NO2/c1-11-6-8-12(9-7-11)10-16-14-5-3-2-4-13(14)15(17)18/h2-9,16H,10H2,1H3,(H,17,18)
InChIKeyLLPMVUVDNDHOFH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Onosma hispida (IPNI:119681-1) whole plant (BTO:0001461) PubMed (16079517)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
lipoxygenase inhibitor  A compound or agent that combines with lipoxygenase and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of the icosanoid products hydroxyicosatetraenoic acid and various leukotrienes.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
onosmin A (CHEBI:66821) has functional parent anthranilic acid (CHEBI:30754)
onosmin A (CHEBI:66821) has role lipoxygenase inhibitor (CHEBI:35856)
onosmin A (CHEBI:66821) has role plant metabolite (CHEBI:76924)
onosmin A (CHEBI:66821) is a aminobenzoic acid (CHEBI:22495)
onosmin A (CHEBI:66821) is a secondary amino compound (CHEBI:50995)
Incoming Relation(s)
onosmin B (CHEBI:66822) has functional parent onosmin A (CHEBI:66821)
IUPAC Name 
2-[(4-methylbenzyl)amino]benzoic acid
Synonym  Source
2-[(4-methylphenyl)methylamino]benzoic acidChEBI
Registry NumbersSources
Reaxys:2850992Reaxys
Citations