3-(2,5-dimethoxyphenyl)propanoic acid (CHEBI:166656)

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ChEBI Name	3-(2,5-dimethoxyphenyl)propanoic acid

ChEBI ID	CHEBI:166656

Definition	A monocarboxylic acid that is 3-phenylpropionic acid in which the hydrogens at positions 2 and 5 of the phenyl ring are replaced by methoxy groups.

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H14O4

Net Charge

Average Mass

210.229

Monoisotopic Mass

210.08921

InChI

InChI=1S/C11H14O4/c1-14-9-4-5-10(15-2)8(7-9)3-6-11(12)13/h4-5,7H,3,6H2,1-2H3,(H,12,13)

InChIKey

JENQUCZZZGYHRW-UHFFFAOYSA-N

SMILES

COC1=CC(CCC(O)=O)=C(OC)C=C1

Metabolite of Species	Details
Pseudognaphalium affine (NCBI:txid318063)	Species also known as Gnaphalium affine. See: PubMed

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):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	3-(2,5-dimethoxyphenyl)propanoic acid (CHEBI:166656) has functional parent 3-phenylpropionic acid (CHEBI:28631) 3-(2,5-dimethoxyphenyl)propanoic acid (CHEBI:166656) has role plant metabolite (CHEBI:76924) 3-(2,5-dimethoxyphenyl)propanoic acid (CHEBI:166656) is a dimethoxybenzene (CHEBI:51681) 3-(2,5-dimethoxyphenyl)propanoic acid (CHEBI:166656) is a monocarboxylic acid (CHEBI:25384)

IUPAC Name

3-(2,5-dimethoxyphenyl)propanoic acid

Synonyms	Sources
2,5-dimethoxybenzenepropanoic acid	ChemIDplus
2,5-dimethoxydihydrocinnamic acid	ChEBI
2,5-dimethoxyhydrocinnamic acid	ChemIDplus
3-(2,5-dimethoxy-phenyl)-propionic acid	ChEBI
3-(2,5-dimethoxyphenyl)propionic acid	ChEBI

Last Modified

08 July 2022