EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:70094 - 1-[(2E)-7-(3,4-methylenedioxyphenyl)-2-heptenoyl]pyrrolidine

ChEBI IDCHEBI:70094
ChEBI Name1-[(2E)-7-(3,4-methylenedioxyphenyl)-2-heptenoyl]pyrrolidine
Stars
DefinitionA natural product found in Piper boehmeriaefolium.
Last Modified22 September 2014
DownloadsMolfile
FormulaC18H23NO3
Net Charge0
Average Mass301.386
Monoisotopic Mass301.16779
SMILESO=C(/C=C/CCCCc1ccc2c(c1)OCO2)N1CCCC1
InChIInChI=1S/C18H23NO3/c20-18(19-11-5-6-12-19)8-4-2-1-3-7-15-9-10-16-17(13-15)22-14-21-16/h4,8-10,13H,1-3,5-7,11-12,14H2/b8-4+
InChIKeyAXDKDWWPOMVARR-XBXARRHUSA-N
Species of MetaboliteComponentSourceComments
Piper boehmeriaefolium (ncbitaxon:130389) whole plant (BTO:0001461) PubMed (21158422) Methanolic extract of air-dried, powdered whole plant
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)
1-[(2E)-7-(3,4-methylenedioxyphenyl)-2-heptenoyl]pyrrolidine (CHEBI:70094) has role metabolite (CHEBI:25212)
1-[(2E)-7-(3,4-methylenedioxyphenyl)-2-heptenoyl]pyrrolidine (CHEBI:70094) is a benzodioxoles (CHEBI:38298)
Citations