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CHEBI:16547 - coniferyl aldehyde

Default Structure
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:
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.
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