1'-acetoxychavicol acetate (CHEBI:469)

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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.

Supplier Information

Download	Molfile XML SDF

Formula

C13H14O4

Net Charge

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-kappaB (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.

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

(1S)-1-[4-(acetyloxy)phenyl]prop-2-en-1-yl acetate

Synonyms	Sources
(alphaS)-4-(Acetyloxy)-alpha-ethenylbenzenemethanol	ChemIDplus
1'-Acetoxychavicol acetate	KEGG COMPOUND

Last Modified

29 January 2015