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ChEBI
> Main
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.
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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
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