CHEBI:68920 - bruceolline I

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ChEBI Name bruceolline I
ChEBI ID CHEBI:68920
Definition An indole alkaloid that is 1,2,3,4-tetrahydrocyclopenta[b]indole substituted by hydroxy groups at positions 2 and 6, 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
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Formula C13H13NO3
Net Charge 0
Average Mass 231.24720
Monoisotopic Mass 231.08954
InChI InChI=1S/C13H13NO3/c1-13(2)11-9(10(16)12(13)17)7-4-3-6(15)5-8(7)14-11/h3-5,12,14-15,17H,1-2H3/t12-/m0/s1
InChIKey YVCJAXRJLMHQET-LBPRGKRZSA-N
SMILES CC1(C)[C@@H](O)C(=O)c2c1[nH]c1cc(O)ccc21
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): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing bruceolline I (CHEBI:68920) has role metabolite (CHEBI:25212)
bruceolline I (CHEBI:68920) has role plant metabolite (CHEBI:76924)
bruceolline I (CHEBI:68920) is a cyclic ketone (CHEBI:3992)
bruceolline I (CHEBI:68920) is a indole alkaloid (CHEBI:38958)
bruceolline I (CHEBI:68920) is a organic heterotricyclic compound (CHEBI:26979)
bruceolline I (CHEBI:68920) is a phenols (CHEBI:33853)
bruceolline I (CHEBI:68920) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name
(2R)-2,6-dihydroxy-3,3-dimethyl-3,4-dihydrocyclopenta[b]indol-1(2H)-one
Registry Number Type Source
22123610 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22070654 PubMed citation Europe PMC
Last Modified
06 February 2018