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> Main
CHEBI:86598 - coniferyl benzoate
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ChEBI Name
coniferyl benzoate
ChEBI ID
CHEBI:86598
Definition
A benzoate ester obtained by the formal condensation of coniferol with benzoic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C17H16O4
Net Charge
0
Average Mass
284.30650
Monoisotopic Mass
284.10486
InChI
InChI=1S/C17H16O4/c1-
20-
16-
12-
13(9-
10-
15(16)
18)
6-
5-
11-
21-
17(19)
14-
7-
3-
2-
4-
8-
14/h2-
10,12,18H,11H2,1H3/b6-
5+
InChIKey
LAAPRQODJPXAHC-AATRIKPKSA-N
SMILES
COc1cc(\C=C\COC(=O)c2ccccc2)ccc1O
Metabolite of Species
Details
Populus tremuloides
(NCBI:txid3693)
See:
PubMed
Roles Classification
Biological Role
(s):
allelochemical
A class of secondary metabolites developed by many plants to influence the behaviour, growth or survival of herbivores, and thus acting as a defence against herbivory.
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
coniferyl benzoate (
CHEBI:86598
)
has functional parent
coniferol (
CHEBI:17745
)
coniferyl benzoate (
CHEBI:86598
)
has role
allelochemical (
CHEBI:62215
)
coniferyl benzoate (
CHEBI:86598
)
has role
antifeedant (
CHEBI:22583
)
coniferyl benzoate (
CHEBI:86598
)
has role
plant metabolite (
CHEBI:76924
)
coniferyl benzoate (
CHEBI:86598
)
is a
benzoate ester (
CHEBI:36054
)
coniferyl benzoate (
CHEBI:86598
)
is a
guaiacols (
CHEBI:134251
)
IUPAC Name
(2
E
)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl benzoate
Registry Number
Type
Source
3146188
Reaxys Registry Number
Reaxys
Citations
Types
Sources
24248582
PubMed citation
Europe PMC
24258600
PubMed citation
Europe PMC
24263713
PubMed citation
Europe PMC
Last Modified
07 April 2017