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CHEBI:84089 - 2,5-dihydroxycinnamic acid methyl ester

Default Structure
ChEBI IDCHEBI:84089
ChEBI Name2,5-dihydroxycinnamic acid methyl ester
Stars
DefinitionA cinnamate ester that is the methyl ester of 2,5-dihydroxycinnamic acid.
Last Modified5 October 2021
Submitternamrata
DownloadsMolfile
FormulaC10H10O4
Net Charge0
Average Mass194.186
Monoisotopic Mass194.05791
SMILESCOC(=O)/C=C/c1cc(O)ccc1O
InChIInChI=1S/C10H10O4/c1-14-10(13)5-2-7-6-8(11)3-4-9(7)12/h2-6,11-12H,1H3/b5-2+
InChIKeyBQCNSTFWSKOWMA-GORDUTHDSA-N
Species of MetaboliteComponentSourceComments
Grevillea robusta (ncbitaxon:105748) leaf (BTO:0000713) PubMed (22064272)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that interferes with the action of receptor protein-tyrosine kinase (EC 2.7.10.1).
Application:
geroprotector  Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
ChEBI Ontology
Outgoing Relation(s)
2,5-dihydroxycinnamic acid methyl ester (CHEBI:84089) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
2,5-dihydroxycinnamic acid methyl ester (CHEBI:84089) has role geroprotector (CHEBI:176497)
2,5-dihydroxycinnamic acid methyl ester (CHEBI:84089) has role human urinary metabolite (CHEBI:84087)
2,5-dihydroxycinnamic acid methyl ester (CHEBI:84089) has role plant metabolite (CHEBI:76924)
2,5-dihydroxycinnamic acid methyl ester (CHEBI:84089) is a cinnamate ester (CHEBI:36087)
2,5-dihydroxycinnamic acid methyl ester (CHEBI:84089) is a hydroquinones (CHEBI:24646)
2,5-dihydroxycinnamic acid methyl ester (CHEBI:84089) is a methyl ester (CHEBI:25248)
IUPAC Name 
methyl (2E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
Synonyms  Source
erbstatin analogLINCS
methyl 2,5-dihydroxycinnamateChEBI
methyl 3-(2,5-dihydroxyphenyl)-2-propenoateChemIDplus
methyl 3-(2',5'dihydroxyphenyl)acrylateChEBI
methyl 3-(2,5-dihydroxyphenyl)acrylateLINCS
methyl grevillateChEBI
Manual XrefsDatabases
4510151ChemSpider
HMDB0061686HMDB
LSM-43038LINCS
Registry NumbersSources
Reaxys:8140004Reaxys
CAS:63177-57-1ChemIDplus
Citations