bruceolline J (CHEBI:68921)

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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

Download	Molfile XML SDF

Formula

C13H13NO2

Net Charge

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 )

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