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

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:
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).
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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
methyl grevillateChEBI
methyl 3-(2',5'dihydroxyphenyl)acrylateChEBI
methyl 2,5-dihydroxycinnamateChEBI
methyl 3-(2,5-dihydroxyphenyl)-2-propenoateChemIDplus
erbstatin analogLINCS
methyl 3-(2,5-dihydroxyphenyl)acrylateLINCS
Manual XrefsDatabases
4510151ChemSpider
HMDB0061686HMDB
LSM-43038LINCS
Registry NumbersSources
Reaxys:8140004Reaxys
CAS:63177-57-1ChemIDplus
Citations