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CHEBI:27949 - (E)-sinapaldehyde

ChEBI IDCHEBI:27949
ChEBI Name(E)-sinapaldehyde
Stars
ASCII Name(E)-sinapaldehyde
DefinitionA member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5.
Secondary ChEBI IDsCHEBI:9153, CHEBI:26684
Last Modified9 May 2022
DownloadsMolfile
FormulaC11H12O4
Net Charge0
Average Mass208.213
Monoisotopic Mass208.07356
SMILES[H]C(=O)/C=C/c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+
InChIKeyCDICDSOGTRCHMG-ONEGZZNKSA-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)
(E)-sinapaldehyde (CHEBI:27949) has functional parent (E)-cinnamaldehyde (CHEBI:16731)
(E)-sinapaldehyde (CHEBI:27949) has role antifungal agent (CHEBI:35718)
(E)-sinapaldehyde (CHEBI:27949) has role plant metabolite (CHEBI:76924)
(E)-sinapaldehyde (CHEBI:27949) is a cinnamaldehydes (CHEBI:23245)
(E)-sinapaldehyde (CHEBI:27949) is a dimethoxybenzene (CHEBI:51681)
(E)-sinapaldehyde (CHEBI:27949) is a phenols (CHEBI:33853)
Incoming Relation(s)
(E)-nesocodin (alcohol-form) zwitterion (CHEBI:191394) has functional parent (E)-sinapaldehyde (CHEBI:27949)
(E)-nesocodin (oxo-form) zwitterion (CHEBI:191393) has functional parent (E)-sinapaldehyde (CHEBI:27949)
(E)-sinapaldehyde 4-O-β-D-glucopyranoside (CHEBI:142126) has functional parent (E)-sinapaldehyde (CHEBI:27949)
4-acetoxy-3,5-dimethoxy-trans-cinnamaldehyde (CHEBI:86587) has functional parent (E)-sinapaldehyde (CHEBI:27949)
IUPAC Name 
(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal
Synonyms  Source
(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylaldehydeChEBI
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenalChemIDplus
(E)-sinapoyl aldehydeChEBI
SinapaldehydeKEGG COMPOUND
Sinapoyl aldehydeKEGG COMPOUND
sinapyl aldehydeChemIDplus
UniProt Name  Source
(E)-sinapaldehydeUniProt
Manual XrefsDatabases
C00002775KNApSAcK
C05610KEGG COMPOUND
C05610KEGG COMPOUND
SinapaldehydeWikipedia
SINAPALDEHYDEMetaCyc
Registry NumbersSources
Reaxys:2215799Reaxys
CAS:4206-58-0KEGG COMPOUND
CAS:4206-58-0ChemIDplus
Citations