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CHEBI:16731 - (E)-cinnamaldehyde

Default Structure
ChEBI IDCHEBI:16731
ChEBI Name(E)-cinnamaldehyde
Stars
ASCII Name(E)-cinnamaldehyde
DefinitionThe E (trans) stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes.
Secondary ChEBI IDsCHEBI:3709, CHEBI:13994, CHEBI:23244, CHEBI:181858
Last Modified16 January 2019
DownloadsMolfile
FormulaC9H8O
Net Charge0
Average Mass132.162
Monoisotopic Mass132.05751
SMILESO=C/C=C/c1ccccc1
InChIInChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
InChIKeyKJPRLNWUNMBNBZ-QPJJXVBHSA-N
Wikipedia
Roles Classification
Chemical Role:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
Biological Roles:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
sensitiser  A chemical compound that causes a substantial proportion of exposed people or animals to develop an allergic reaction in normal tissue after repeated exposure to the compound.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor  An EC 4.3.* (C‒N lyase) inhibitor that interferes with the action of phenylalanine ammonia-lyase (EC 4.3.1.24).
Applications:
hypoglycemic agent  A drug which lowers the blood glucose level.
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
vasodilator agent  A drug used to cause dilation of the blood vessels.
ChEBI Ontology
Outgoing Relation(s)
(E)-cinnamaldehyde (CHEBI:16731) has role antifungal agent (CHEBI:35718)
(E)-cinnamaldehyde (CHEBI:16731) has role EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor (CHEBI:62871)
(E)-cinnamaldehyde (CHEBI:16731) has role flavouring agent (CHEBI:35617)
(E)-cinnamaldehyde (CHEBI:16731) has role hypoglycemic agent (CHEBI:35526)
(E)-cinnamaldehyde (CHEBI:16731) has role plant metabolite (CHEBI:76924)
(E)-cinnamaldehyde (CHEBI:16731) has role sensitiser (CHEBI:139492)
(E)-cinnamaldehyde (CHEBI:16731) has role vasodilator agent (CHEBI:35620)
(E)-cinnamaldehyde (CHEBI:16731) is a 3-phenylprop-2-enal (CHEBI:142921)
(E)-cinnamaldehyde (CHEBI:16731) is a cinnamaldehydes (CHEBI:23245)
Incoming Relation(s)
(E)-sinapaldehyde (CHEBI:27949) has functional parent (E)-cinnamaldehyde (CHEBI:16731)
3,4-dimethoxy cinnamaldehyde (CHEBI:86548) has functional parent (E)-cinnamaldehyde (CHEBI:16731)
4-acetoxy-3-methoxy-trans-cinnamaldehyde (CHEBI:86579) has functional parent (E)-cinnamaldehyde (CHEBI:16731)
4-hydroxycinnamaldehyde (CHEBI:28353) has functional parent (E)-cinnamaldehyde (CHEBI:16731)
4-methoxymagnaldehyde B (CHEBI:66705) has functional parent (E)-cinnamaldehyde (CHEBI:16731)
coniferyl aldehyde (CHEBI:16547) has functional parent (E)-cinnamaldehyde (CHEBI:16731)
α-hexylcinnamaldehyde (CHEBI:55365) has functional parent (E)-cinnamaldehyde (CHEBI:16731)
IUPAC Name 
(3E)-3-phenylprop-2-enal
Synonyms  Source
3-phenylacrylaldehydeChEBI
CinnamaldehydeKEGG COMPOUND
(E)-3-Phenyl-2-propenalChemIDplus
(E)-3-Phenyl-propenalChEMBL
(E)-3-PhenylpropenalChemIDplus
(E)-CinnamaldehydeChemIDplus
UniProt Name  Source
(E)-cinnamaldehydeUniProt
Manual XrefsDatabases
1069BPDB
C00002725KNApSAcK
C00035187KNApSAcK
C00903KEGG COMPOUND
C00903KEGG COMPOUND
CinnamaldehydeWikipedia
HMDB0003441HMDB
Registry NumbersSources
Reaxys:1071571Reaxys
CAS:14371-10-9NIST Chemistry WebBook
CAS:14371-10-9ChemIDplus
Citations