CHEBI:65530 - 15-O-acetylbruceolide

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ChEBI Name 15-O-acetylbruceolide
ChEBI ID CHEBI:65530
ChEBI ASCII Name 15-O-acetylbruceolide
Definition A quassinoid that is the 15-O-acetyl derivative of bruceolide. It has been isolated from Brucea javanica and Brucea sumatrana.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C23H28O11
Net Charge 0
Average Mass 480.46180
Monoisotopic Mass 480.16316
InChI InChI=1S/C23H28O11/c1-8-10-5-12-22-7-32-23(20(30)31-4,17(22)15(19(29)34-12)33-9(2)24)18(28)14(27)16(22)21(10,3)6-11(25)13(8)26/h10,12,14-18,26-28H,5-7H2,1-4H3/t10-,12+,14+,15+,16+,17+,18-,21-,22+,23+/m0/s1
InChIKey YDWODLQEUPYKGJ-MUVFDYEFSA-N
SMILES COC(=O)[C@@]12OC[C@@]34[C@H]1[C@@H](OC(C)=O)C(=O)O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O
Metabolite of Species Details
Brucea sumatrana (IPNI:813620-1) See: DUOC HOC, 1979,4,15
Brucea javanica (NCBI:txid210348) Found in fruit (BTO:0000486). See: DOI
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.
Application(s): antifeedant
A substance that prevents pests from feeding.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 15-O-acetylbruceolide (CHEBI:65530) has functional parent bruceolide (CHEBI:65529)
15-O-acetylbruceolide (CHEBI:65530) has role antifeedant (CHEBI:22583)
15-O-acetylbruceolide (CHEBI:65530) has role plant metabolite (CHEBI:76924)
15-O-acetylbruceolide (CHEBI:65530) is a δ-lactone (CHEBI:18946)
15-O-acetylbruceolide (CHEBI:65530) is a acetate ester (CHEBI:47622)
15-O-acetylbruceolide (CHEBI:65530) is a cyclic ether (CHEBI:37407)
15-O-acetylbruceolide (CHEBI:65530) is a enol (CHEBI:33823)
15-O-acetylbruceolide (CHEBI:65530) is a enone (CHEBI:51689)
15-O-acetylbruceolide (CHEBI:65530) is a methyl ester (CHEBI:25248)
15-O-acetylbruceolide (CHEBI:65530) is a organic heteropentacyclic compound (CHEBI:38164)
15-O-acetylbruceolide (CHEBI:65530) is a quassinoid (CHEBI:72485)
15-O-acetylbruceolide (CHEBI:65530) is a triol (CHEBI:27136)
Synonym Source
brucein B ChEBI
Registry Number Type Source
9173717 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12570385 PubMed citation Europe PMC
24271901 PubMed citation Europe PMC
Last Modified
27 May 2015
General Comment
2012-07-27 DUOC HOC, 1979,4,15