CHEBI:27949 - (E)-sinapaldehyde

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ChEBI Name (E)-sinapaldehyde
ChEBI ID CHEBI:27949
ChEBI ASCII Name (E)-sinapaldehyde
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:9153, CHEBI:26684
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Formula C11H12O4
Net Charge 0
Average Mass 208.21058
Monoisotopic Mass 208.074
InChI InChI=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+
InChIKey CDICDSOGTRCHMG-ONEGZZNKSA-N
SMILES [H]C(=O)\C=C\c1cc(OC)c(O)c(OC)c1
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 (E)-sinapaldehyde (CHEBI:27949) has functional parent 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 (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 Sources
(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylaldehyde ChEBI
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenal ChemIDplus
(E)-sinapoyl aldehyde ChEBI
Sinapaldehyde KEGG COMPOUND
Sinapoyl aldehyde KEGG COMPOUND
sinapyl aldehyde ChemIDplus
trans-sinapoyl aldehyde UniProt
Manual Xrefs Databases
C00002775 KNApSAcK
C05610 KEGG COMPOUND
Sinapaldehyde Wikipedia
SINAPALDEHYDE MetaCyc
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Registry Numbers Types Sources
2215799 Beilstein Registry Number Beilstein
2215799 Reaxys Registry Number Reaxys
4206-58-0 CAS Registry Number KEGG COMPOUND
4206-58-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
21080014 PubMed citation Europe PMC
22034160 PubMed citation Europe PMC
22466741 PubMed citation Europe PMC
23561163 PubMed citation Europe PMC
28878036 PubMed citation Europe PMC
Last Modified
19 September 2018