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CHEBI:62219 - 2-heptyl-4-quinolone

ChEBI IDCHEBI:62219
ChEBI Name2-heptyl-4-quinolone
Stars
DefinitionA quinolone consisting of quinolin-4(1H)-one carrying a heptyl substituent at position 2.
Last Modified26 July 2019
SubmitterAnne Morgat
DownloadsMolfile
FormulaC16H21NO
Net Charge0
Average Mass243.350
Monoisotopic Mass243.16231
SMILESCCCCCCCc1cc(=O)c2ccccc2n1
InChIInChI=1S/C16H21NO/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17-13/h7-8,10-12H,2-6,9H2,1H3,(H,17,18)
InChIKeyUYRHHBXYXSYGHA-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
signalling molecule  A molecular messenger in which the molecule is specifically involved in transmitting information between cells. Such molecules are released from the cell sending the signal, cross over the gap between cells by diffusion, and interact with specific receptors in another cell, triggering a response in that cell by activating a series of enzyme controlled reactions which lead to changes inside the cell.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
2-heptyl-4-quinolone (CHEBI:62219) has role antibacterial agent (CHEBI:33282)
2-heptyl-4-quinolone (CHEBI:62219) has role iron chelator (CHEBI:38157)
2-heptyl-4-quinolone (CHEBI:62219) has role metabolite (CHEBI:25212)
2-heptyl-4-quinolone (CHEBI:62219) has role signalling molecule (CHEBI:62488)
2-heptyl-4-quinolone (CHEBI:62219) is a quinolone (CHEBI:23765)
2-heptyl-4-quinolone (CHEBI:62219) is tautomer of 2-heptyl-4-hydroxyquinoline (CHEBI:75306)
Incoming Relation(s)
2-heptyl-4-hydroxyquinoline (CHEBI:75306) is tautomer of 2-heptyl-4-quinolone (CHEBI:62219)
IUPAC Name 
2-heptylquinolin-4(1H)-one
Synonyms  Source
2-heptyl-1H-quinolin-4-oneChEBI
2-heptyl-4(1H)-quinoloneChEBI
UniProt Name  Source
2-heptyl-4(1H)-quinoloneUniProt
Registry NumbersSources
Reaxys:1529939Reaxys
CAS:40522-46-1SUBMITTER
Citations