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

ChEBI IDCHEBI:166656
ChEBI Name3-(2,5-dimethoxyphenyl)propanoic acid
Stars
DefinitionA 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.
Last Modified8 July 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14O4
Net Charge0
Average Mass210.229
Monoisotopic Mass210.08921
SMILESCOc1ccc(OC)c(CCC(=O)O)c1
InChIInChI=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)
InChIKeyJENQUCZZZGYHRW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudognaphalium affine (ncbitaxon:318063) - PubMed (27324043) Species also known as Gnaphalium affine.
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
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 Relation(s)
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  Source
3-(2,5-dimethoxyphenyl)propionic acidChEBI
2,5-dimethoxybenzenepropanoic acidChemIDplus
2,5-dimethoxyhydrocinnamic acidChemIDplus
2,5-dimethoxydihydrocinnamic acidChEBI
3-(2,5-dimethoxy-phenyl)-propionic acidChEBI
Manual XrefsDatabases
59721ChemSpider
Registry NumbersSources
CAS:10538-49-5ChemIDplus
CAS:10538-49-5NIST Chemistry WebBook
Citations