CHEBI:68926 - bruceolline E

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ChEBI Name bruceolline E
ChEBI ID CHEBI:68926
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C13H11NO2
Net Charge 0
Average Mass 213.23190
Monoisotopic Mass 213.07898
InChI InChI=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
InChIKey ARBFRFGYYIWHSN-UHFFFAOYSA-N
SMILES CC1(C)C(=O)C(=O)c2c1[nH]c1ccccc21
Metabolite of Species Details
Brucea mollis (NCBI:txidtxid43723) Found in stem (BTO:0001300). Ethanolic extract of air-dried and powdered stems See: PubMed
Roles Classification
Biological Role(s): 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.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing bruceolline E (CHEBI:68926) has role plant metabolite (CHEBI:76924)
bruceolline E (CHEBI:68926) is a α-diketone (CHEBI:51869)
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)
IUPAC Name
3,3-dimethyl-3,4-dihydrocyclopenta[b]indole-1,2-dione
Registry Number Type Source
6923609 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22070654 PubMed citation Europe PMC
Last Modified
09 January 2014