EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:190099 - 4-Quinolone-3-Carboxamide CB2 Ligand

ChEBI IDCHEBI:190099
ChEBI Name4-Quinolone-3-Carboxamide CB2 Ligand
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34N2O3
Net Charge0
Average Mass422.569
Monoisotopic Mass422.25694
SMILESCCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cccc(OC)c21
InChIInChI=1S/C26H34N2O3/c1-3-4-5-9-28-16-21(24(29)20-7-6-8-22(31-2)23(20)28)25(30)27-26-13-17-10-18(14-26)12-19(11-17)15-26/h6-8,16-19H,3-5,9-15H2,1-2H3,(H,27,30)
InChIKeyYGNQQLUXHGNAEG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
4-Quinolone-3-Carboxamide CB2 Ligand (CHEBI:190099) is a quinolines (CHEBI:26513)
IUPAC Name 
N-(1-adamantyl)-8-methoxy-4-oxo-1-pentylquinoline-3-carboxamide
Manual XrefsDatabases
26628872ChemSpider