EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:65536 - 3-(3-methylbut-2-enyl)-4-(3-methylbut-2-enyloxy)quinolin-2(1H)-one (Structural isomer of Buchapine)

ChEBI IDCHEBI:65536
ChEBI Name3-(3-methylbut-2-enyl)-4-(3-methylbut-2-enyloxy)quinolin-2(1H)-one (Structural isomer of Buchapine)
Stars
DefinitionA natural product found in Haplophyllum tuberculatum and Euodia roxburghiana.
Last Modified22 September 2014
DownloadsMolfile
FormulaC19H23NO2
Net Charge0
Average Mass297.398
Monoisotopic Mass297.17288
SMILESCC(C)=CCOc1c(CC=C(C)C)c(=O)nc2ccccc12
InChIInChI=1S/C19H23NO2/c1-13(2)9-10-16-18(22-12-11-14(3)4)15-7-5-6-8-17(15)20-19(16)21/h5-9,11H,10,12H2,1-4H3,(H,20,21)
InChIKeyYADLZLRNLRNTCM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Euodia roxburghiana (IPNI:773124-1) - PubMed (8778237)
Haplophyllum tuberculatum (ncbitaxon:452784) - DOI (10.1016/S0031-9422(00)82500-5)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3-(3-methylbut-2-enyl)-4-(3-methylbut-2-enyloxy)quinolin-2(1H)-one (Structural isomer of Buchapine) (CHEBI:65536) has role metabolite (CHEBI:25212)
3-(3-methylbut-2-enyl)-4-(3-methylbut-2-enyloxy)quinolin-2(1H)-one (Structural isomer of Buchapine) (CHEBI:65536) is a quinolines (CHEBI:26513)
Citations