CHEBI:68924 - bruceolline M

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ChEBI Name bruceolline M
ChEBI ID CHEBI:68924
Definition An indole alkaloid that is 1H-indole substituted by a 3-hydroxy-3-methyl-2-oxobutyl group at position 3 and a β-D-glucopyranosyl group attached to the indolic nitrogen. 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
Download Molfile XML SDF
Formula C19H25NO7
Net Charge 0
Average Mass 379.40430
Monoisotopic Mass 379.16310
InChI InChI=1S/C19H25NO7/c1-19(2,26)14(22)7-10-8-20(12-6-4-3-5-11(10)12)18-17(25)16(24)15(23)13(9-21)27-18/h3-6,8,13,15-18,21,23-26H,7,9H2,1-2H3/t13-,15-,16+,17-,18-/m1/s1
InChIKey GYKOURUXQLVTDZ-SOVHRIKKSA-N
SMILES CC(C)(O)C(=O)Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12
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 M (CHEBI:68924) has role plant metabolite (CHEBI:76924)
bruceolline M (CHEBI:68924) is a N-glycosyl compound (CHEBI:21731)
bruceolline M (CHEBI:68924) is a indole alkaloid (CHEBI:38958)
bruceolline M (CHEBI:68924) is a ketone (CHEBI:17087)
bruceolline M (CHEBI:68924) is a tertiary α-hydroxy ketone (CHEBI:139592)
bruceolline M (CHEBI:68924) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
1-(β-D-glucopyranosyl)-3-(3-hydroxy-3-methyl-2-oxobutyl)-1H-indole
Registry Number Type Source
22123612 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22070654 PubMed citation Europe PMC
Last Modified
07 February 2018