CHEBI:68922 - bruceolline K

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ChEBI Name bruceolline K
ChEBI ID CHEBI:68922
Definition An indole alkaloid that is 1,2,3,4-tetrahydrocyclopenta[b]indole substituted by geminal-methyl groups at position 3, an oxo group at position 1 and a β-D-glucopyranosyloxy group at position 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
Download Molfile XML SDF
Formula C19H23NO7
Net Charge 0
Average Mass 377.38840
Monoisotopic Mass 377.14745
InChI InChI=1S/C19H23NO7/c1-19(2)16-11(8-5-3-4-6-9(8)20-16)13(23)17(19)27-18-15(25)14(24)12(22)10(7-21)26-18/h3-6,10,12,14-15,17-18,20-22,24-25H,7H2,1-2H3/t10-,12-,14+,15-,17+,18+/m1/s1
InChIKey OVQDAMWIXJSLMW-UZLGDHMWSA-N
SMILES CC1(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing bruceolline K (CHEBI:68922) has role metabolite (CHEBI:25212)
bruceolline K (CHEBI:68922) has role plant metabolite (CHEBI:76924)
bruceolline K (CHEBI:68922) is a β-D-glucoside (CHEBI:22798)
bruceolline K (CHEBI:68922) is a cyclic ketone (CHEBI:3992)
bruceolline K (CHEBI:68922) is a monosaccharide derivative (CHEBI:63367)
bruceolline K (CHEBI:68922) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name
(2R)-3,3-dimethyl-1-oxo-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl β-D-glucopyranoside
Registry Number Type Source
22123613 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22070654 PubMed citation Europe PMC
Last Modified
07 October 2013