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> Main
CHEBI:469 - 1'-acetoxychavicol acetate
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ChEBI Name
1'-acetoxychavicol acetate
ChEBI ID
CHEBI:469
Definition
An acetate ester that is chavicol acetate substituted by an acetoxy group at position 1'.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C13H14O4
Net Charge
0
Average Mass
234.24786
Monoisotopic Mass
234.08921
InChI
InChI=1S/C13H14O4/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14/h4-8,13H,1H2,2-3H3/t13-/m0/s1
InChIKey
JAMQIUWGGBSIKZ-ZDUSSCGKSA-N
SMILES
CC(=O)O[C@@H](C=C)c1ccc(OC(C)=O)cc1
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
NF-kappaB inhibitor
An inhibitor of NF-
kappa
B (nuclear factor
kappa
-light-chain-enhancer of activated B cells), a protein complex involved in the transcription of DNA.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
1'-acetoxychavicol acetate (
CHEBI:469
)
has functional parent
chavicol (
CHEBI:50158
)
1'-acetoxychavicol acetate (
CHEBI:469
)
has role
antineoplastic agent (
CHEBI:35610
)
1'-acetoxychavicol acetate (
CHEBI:469
)
has role
NF-κB inhibitor (
CHEBI:73240
)
1'-acetoxychavicol acetate (
CHEBI:469
)
has role
plant metabolite (
CHEBI:76924
)
1'-acetoxychavicol acetate (
CHEBI:469
)
is a
acetate ester (
CHEBI:47622
)
1'-acetoxychavicol acetate (
CHEBI:469
)
is a
phenylpropanoid (
CHEBI:26004
)
IUPAC Name
(1
S
)-1-[4-(acetyloxy)phenyl]prop-2-en-1-yl acetate
Synonyms
Sources
(alphaS)-4-(Acetyloxy)-alpha-ethenylbenzenemethanol
ChemIDplus
1'-Acetoxychavicol acetate
KEGG COMPOUND
Manual Xrefs
Databases
C00002711
KNApSAcK
C10426
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
2376729
Reaxys Registry Number
Reaxys
52946-22-2
CAS Registry Number
ChemIDplus
Citations
Types
Sources
15899834
PubMed citation
Europe PMC
24480522
PubMed citation
Europe PMC
25301089
PubMed citation
Europe PMC
Last Modified
29 January 2015