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CHEBI:90786 - 2-methyl-1-oxo-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline-3,4-diol

ChEBI IDCHEBI:90786
ChEBI Name2-methyl-1-oxo-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline-3,4-diol
Stars
ASCII Name2-methyl-1-oxo-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline-3,4-diol
DefinitionA member of the class of quinoline N-oxides that is 2-methyl-1-oxo-4-3,4-dihydroquinoline-3,4-diol carrying an additional (2E,6E)-farnesyl group at position 4.
Last Modified10 September 2024
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC25H35NO3
Net Charge0
Average Mass397.559
Monoisotopic Mass397.26169
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC1(O)c2ccccc2[N+]([O-])=C(C)C1O
InChIInChI=1S/C25H35NO3/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-25(28)22-14-6-7-15-23(22)26(29)21(5)24(25)27/h6-7,10,12,14-16,24,27-28H,8-9,11,13,17H2,1-5H3/b19-12+,20-16+
InChIKeyQONKLYKAMCVBLM-YEFHWUCQSA-N
Species of MetaboliteComponentSourceComments
Stigmatella aurantiaca Sg a15 (ncbitaxon:675526) - PubMed (22907798) Strain: Sg a15
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
2-methyl-1-oxo-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline-3,4-diol (CHEBI:90786) has role bacterial metabolite (CHEBI:76969)
2-methyl-1-oxo-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline-3,4-diol (CHEBI:90786) is a olefinic compound (CHEBI:78840)
2-methyl-1-oxo-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline-3,4-diol (CHEBI:90786) is a quinoline N-oxide (CHEBI:26508)
2-methyl-1-oxo-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline-3,4-diol (CHEBI:90786) is a secondary alcohol (CHEBI:35681)
2-methyl-1-oxo-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline-3,4-diol (CHEBI:90786) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
2-methyl-1-oxo-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-3,4-dihydro-1λ5-quinoline-3,4-diol
Synonyms  Source
3,4-dihydroxy-2-methyl-4-farnesyl-3H-quinolin-1-ium-1-olateMetaCyc
4-farnesyl-2-methyl-1-oxo-3,4-dihydroquinoline-3,4-diolChEBI
UniProt Name  Source
3,4-dihydroxy-2-methyl-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxideUniProt
Manual XrefsDatabases
CPD-18736MetaCyc
Citations