CHEBI:16547 - coniferyl aldehyde

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ChEBI Name coniferyl aldehyde
ChEBI ID CHEBI:16547
Definition A member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and a methoxy group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:23372, CHEBI:3859, CHEBI:14018
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Formulae C10H10O3
C10H10O3
Net Charge 0
Average Mass 178.18460
Monoisotopic Mass 178.063
InChI InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+
InChIKey DKZBBWMURDFHNE-NSCUHMNNSA-N
SMILES COc1cc(\C=C\C=O)ccc1O
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 coniferaldehyde β-D-glucoside (CHEBI:136949) has functional parent coniferyl aldehyde (CHEBI:16547)
IUPAC Name
3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
Synonyms Sources
4-Hydroxy-3-methoxycinnamaldehyde KEGG COMPOUND
4-hydroxy-3-methoxycinnamaldehyde ChEBI
Coniferaldehyde KEGG COMPOUND
Coniferyl aldehyde KEGG COMPOUND
Ferulaldehyde KEGG COMPOUND
trans-coniferyl aldehyde UniProt
Manual Xrefs Databases
C00002728 KNApSAcK
C02666 KEGG COMPOUND
CONIFERYL-ALDEHYDE MetaCyc
Coniferyl_aldehyde Wikipedia
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Registry Numbers Types Sources
2048208 Reaxys Registry Number Reaxys
458-36-6 CAS Registry Number KEGG COMPOUND
458-36-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
22034160 PubMed citation Europe PMC
22466741 PubMed citation Europe PMC
23302528 PubMed citation Europe PMC
23725839 PubMed citation Europe PMC
24010325 PubMed citation Europe PMC
Last Modified
06 September 2018