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CHEBI:27949 - (E)-sinapaldehyde

Default Structure
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:
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)
(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