3,4,5-trimethoxycinnamic acid (CHEBI:566519)

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ChEBI Name	3,4,5-trimethoxycinnamic acid

ChEBI ID	CHEBI:566519

Definition	A methoxycinnamic acid with three methoxy substituents at the 3-, 4- and 5-positions.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C12H14O5

Net Charge

Average Mass

238.23660

Monoisotopic Mass

238.08412

InChI

InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)

InChIKey

YTFVRYKNXDADBI-UHFFFAOYSA-N

SMILES

[H]C(=Cc1cc(OC)c(OC)c(OC)c1)C(O)=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.

ChEBI Ontology
Outgoing	3,4,5-trimethoxycinnamic acid (CHEBI:566519) has role allergen (CHEBI:50904) 3,4,5-trimethoxycinnamic acid (CHEBI:566519) is a methoxycinnamic acid (CHEBI:61407) 3,4,5-trimethoxycinnamic acid (CHEBI:566519) is conjugate acid of 3,4,5-trimethoxycinnamate (CHEBI:58949)

Incoming	3,4,5-trimethoxycinnamate (CHEBI:58949) is conjugate base of 3,4,5-trimethoxycinnamic acid (CHEBI:566519)

IUPAC Name

3-(3,4,5-trimethoxyphenyl)acrylic acid

Synonyms	Sources
3,4,5-Trimethoxyphenylacrylic acid	ChemIDplus
3-(3,4,5-Trimethoxyphenyl)-2-propenoic acid	ChemIDplus
3-(3,4,5-trimethoxyphenyl)acrylic acid	ChEMBL
O-Methylsinapic acid	ChemIDplus
TMCA	ChEBI

Last Modified

12 March 2019