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CHEBI:68926 - bruceolline E

ChEBI IDCHEBI:68926
ChEBI Namebruceolline E
Stars
DefinitionAn indole alkaloid that is 1,2,3,4-tetrahydrocyclopenta[b]indole substituted by geminal-methyl groups at position 3 and oxo groups at positions 1 and 2. It has been isolated from the ethanol extract of the stems of Brucea mollis.
Last Modified9 January 2014
DownloadsMolfile
FormulaC13H11NO2
Net Charge0
Average Mass213.236
Monoisotopic Mass213.07898
SMILESCC1(C)C(=O)C(=O)c2c1nc1ccccc21
InChIInChI=1S/C13H11NO2/c1-13(2)11-9(10(15)12(13)16)7-5-3-4-6-8(7)14-11/h3-6,14H,1-2H3
InChIKeyARBFRFGYYIWHSN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brucea mollis (ncbitaxon:43723) stem (BTO:0001300) PubMed (22070654) Ethanolic extract of air-dried and powdered stems
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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)
bruceolline E (CHEBI:68926) has role plant metabolite (CHEBI:76924)
bruceolline E (CHEBI:68926) is a aromatic ketone (CHEBI:76224)
bruceolline E (CHEBI:68926) is a indole alkaloid (CHEBI:38958)
bruceolline E (CHEBI:68926) is a organic heterotricyclic compound (CHEBI:26979)
bruceolline E (CHEBI:68926) is a α-diketone (CHEBI:51869)
IUPAC Name 
3,3-dimethyl-3,4-dihydrocyclopenta[b]indole-1,2-dione
Registry NumbersSources
Reaxys:6923609Reaxys
Citations