CHEBI:68921 - bruceolline J

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ChEBI Name bruceolline J
ChEBI ID CHEBI:68921
Definition An indole alkaloid that is 1,2,3,4-tetrahydrocyclopenta[b]indole substituted by a hydroxy group at position 2, geminal-methyl groups at position 3 and an oxo group at position 1. 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 ChemicalBook:CB5855401, ZINC000005854633
Download Molfile XML SDF
Formula C13H13NO2
Net Charge 0
Average Mass 215.24780
Monoisotopic Mass 215.09463
InChI InChI=1S/C13H13NO2/c1-13(2)11-9(10(15)12(13)16)7-5-3-4-6-8(7)14-11/h3-6,12,14,16H,1-2H3/t12-/m0/s1
InChIKey QLFDLIVQYIHVGJ-LBPRGKRZSA-N
SMILES CC1(C)[C@@H](O)C(=O)c2c1[nH]c1ccccc21
Metabolite of Species Details
Brucea mollis (NCBI:txid43723) 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 J (CHEBI:68921) has role metabolite (CHEBI:25212)
bruceolline J (CHEBI:68921) has role plant metabolite (CHEBI:76924)
bruceolline J (CHEBI:68921) is a cyclic ketone (CHEBI:3992)
bruceolline J (CHEBI:68921) is a indole alkaloid (CHEBI:38958)
bruceolline J (CHEBI:68921) is a organic heterotricyclic compound (CHEBI:26979)
bruceolline J (CHEBI:68921) is a secondary α-hydroxy ketone (CHEBI:2468)
bruceolline J (CHEBI:68921) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(2R)-2-hydroxy-3,3-dimethyl-3,4-dihydrocyclopenta[b]indol-1(2H)-one
Registry Number Type Source
22123608 Reaxys Registry Number Reaxys
Citation Type Source
22070654 PubMed citation Europe PMC
Last Modified
06 February 2018