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CHEBI:66125 - jineol

ChEBI IDCHEBI:66125
ChEBI Namejineol
Stars
DefinitionA dihydroxyquinoline that is quinoline substituted by hydroxy groups at positions 3 and 8. Isolated from the centipede Scolopendra subspinipes, it exhibits cytotoxic activity against human tumour cell lines.
Last Modified15 March 2013
DownloadsMolfile
FormulaC9H7NO2
Net Charge0
Average Mass161.160
Monoisotopic Mass161.04768
SMILESOc1cnc2c(O)cccc2c1
InChIInChI=1S/C9H7NO2/c11-7-4-6-2-1-3-8(12)9(6)10-5-7/h1-5,11-12H
InChIKeyIGDFDIZIHMFYGR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Scolopendra subspinipes (ncbitaxon:55038) - DOI (10.1021/np960188t)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
jineol (CHEBI:66125) has role antineoplastic agent (CHEBI:35610)
jineol (CHEBI:66125) has role metabolite (CHEBI:25212)
jineol (CHEBI:66125) is a dihydroxyquinoline (CHEBI:26507)
jineol (CHEBI:66125) is a quinoline alkaloid (CHEBI:26509)
jineol (CHEBI:66125) is a quinolines (CHEBI:26513)
IUPAC Name 
quinoline-3,8-diol
Synonym  Source
3,8-dihydroxyquinolineChEBI
Manual XrefsDatabases
US5824689Patent
Registry NumbersSources
Reaxys:7701329Reaxys
CAS:178762-28-2ChemIDplus