CHEBI:65531 - 15-O-propionylbruceolide

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ChEBI Name 15-O-propionylbruceolide
ChEBI ID CHEBI:65531
ChEBI ASCII Name 15-O-propionylbruceolide
Definition A quassinoid that is the 15-O-propionyl 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
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Formula C24H30O11
Net Charge 0
Average Mass 494.48840
Monoisotopic Mass 494.17881
InChI InChI=1S/C24H30O11/c1-5-13(26)35-16-18-23-8-33-24(18,21(31)32-4)19(29)15(28)17(23)22(3)7-11(25)14(27)9(2)10(22)6-12(23)34-20(16)30/h10,12,15-19,27-29H,5-8H2,1-4H3/t10-,12+,15+,16+,17+,18+,19-,22-,23+,24+/m0/s1
InChIKey JMNCUIIGFZOUJI-URHSRZJXSA-N
SMILES CCC(=O)O[C@@H]1[C@@H]2[C@@]34CO[C@]2([C@@H](O)[C@H](O)[C@@H]3[C@@]2(C)CC(=O)C(O)=C(C)[C@@H]2C[C@H]4OC1=O)C(=O)OC
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 15-O-propionylbruceolide (CHEBI:65531) has functional parent bruceolide (CHEBI:65529)
15-O-propionylbruceolide (CHEBI:65531) has role plant metabolite (CHEBI:76924)
15-O-propionylbruceolide (CHEBI:65531) is a δ-lactone (CHEBI:18946)
15-O-propionylbruceolide (CHEBI:65531) is a cyclic ether (CHEBI:37407)
15-O-propionylbruceolide (CHEBI:65531) is a enol (CHEBI:33823)
15-O-propionylbruceolide (CHEBI:65531) is a enone (CHEBI:51689)
15-O-propionylbruceolide (CHEBI:65531) is a methyl ester (CHEBI:25248)
15-O-propionylbruceolide (CHEBI:65531) is a organic heteropentacyclic compound (CHEBI:38164)
15-O-propionylbruceolide (CHEBI:65531) is a propanoate ester (CHEBI:36243)
15-O-propionylbruceolide (CHEBI:65531) is a quassinoid (CHEBI:72485)
15-O-propionylbruceolide (CHEBI:65531) is a triol (CHEBI:27136)
IUPAC Name
methyl (11β,12α,15β)-3,11,12-trihydroxy-2,16-dioxo-15-(propanoyloxy)-13,20-epoxypicras-3-en-21-oate
Last Modified
27 May 2015
General Comment
2012-07-27 DUOC HOC, 1979,4,15