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CHEBI:16547 - coniferyl aldehyde

ChEBI IDCHEBI:16547
ChEBI Nameconiferyl aldehyde
Stars
DefinitionA member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and a methoxy group at position 3.
Secondary ChEBI IDsCHEBI:3859, CHEBI:14018, CHEBI:23372
Last Modified11 October 2019
DownloadsMolfile
FormulaC10H10O3
Net Charge0
Average Mass178.187
Monoisotopic Mass178.06299
SMILESCOc1cc(/C=C/C=O)ccc1O
InChIInChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+
InChIKeyDKZBBWMURDFHNE-NSCUHMNNSA-N
Wikipedia
Roles Classification
Biological Roles:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
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)
coniferyl aldehyde (CHEBI:16547) has functional parent (E)-cinnamaldehyde (CHEBI:16731)
coniferyl aldehyde (CHEBI:16547) has role antifungal agent (CHEBI:35718)
coniferyl aldehyde (CHEBI:16547) has role plant metabolite (CHEBI:76924)
coniferyl aldehyde (CHEBI:16547) is a cinnamaldehydes (CHEBI:23245)
coniferyl aldehyde (CHEBI:16547) is a guaiacols (CHEBI:134251)
coniferyl aldehyde (CHEBI:16547) is a phenylpropanoid (CHEBI:26004)
Incoming Relation(s)
coniferaldehyde β-D-glucoside (CHEBI:136949) has functional parent coniferyl aldehyde (CHEBI:16547)
IUPAC Name 
3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
Synonyms  Source
4-hydroxy-3-methoxycinnamaldehydeChEBI
4-Hydroxy-3-methoxycinnamaldehydeKEGG COMPOUND
ConiferaldehydeKEGG COMPOUND
Coniferyl aldehydeKEGG COMPOUND
FerulaldehydeKEGG COMPOUND
UniProt Name  Source
(E)-coniferaldehydeUniProt
Manual XrefsDatabases
C00002728KNApSAcK
C02666KEGG COMPOUND
C02666KEGG COMPOUND
Coniferyl_aldehydeWikipedia
CONIFERYL-ALDEHYDEMetaCyc
Registry NumbersSources
Reaxys:2048208Reaxys
CAS:458-36-6ChemIDplus
CAS:458-36-6KEGG COMPOUND
Citations