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.
Supplier Information
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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
(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl benzoate
Registry Number Type Source
3146188 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
24248582 PubMed citation Europe PMC
24258600 PubMed citation Europe PMC
24263713 PubMed citation Europe PMC
Last Modified
07 April 2017