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CHEBI:65531 - 15-O-propionylbruceolide

ChEBI IDCHEBI:65531
ChEBI Name15-O-propionylbruceolide
Stars
ASCII Name15-O-propionylbruceolide
DefinitionA quassinoid that is the 15-O-propionyl derivative of bruceolide. It has been isolated from Brucea javanica and Brucea sumatrana.
Last Modified27 May 2015
DownloadsMolfile
FormulaC24H30O11
Net Charge0
Average Mass494.493
Monoisotopic Mass494.17881
SMILES[H][C@]12[C@@H](O)[C@H](O)[C@]3(C(=O)OC)OC[C@]14[C@@]3([H])[C@@H](OC(=O)CC)C(=O)O[C@]4([H])C[C@@]1([H])C(C)=C(O)C(=O)C[C@]21C
InChIInChI=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
InChIKeyJMNCUIIGFZOUJI-URHSRZJXSA-N
Species of MetaboliteComponentSourceComments
Brucea javanica (ncbitaxon:210348) fruit (BTO:0000486) DOI (10.1016/S1383-5769(99)00023-9)
Brucea sumatrana (IPNI:813620-1) - Article (DUOC HOC, 1979,4,15)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
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 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)
15-O-propionylbruceolide (CHEBI:65531) is a δ-lactone (CHEBI:18946)
IUPAC Name 
methyl (11β,12α,15β)-3,11,12-trihydroxy-2,16-dioxo-15-(propanoyloxy)-13,20-epoxypicras-3-en-21-oate