EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:48541 - 4-methoxycinnamic acid

ChEBI IDCHEBI:48541
ChEBI Name4-methoxycinnamic acid
Stars
DefinitionA methoxycinnamic acid having a single methoxy substituent at the 4-position on the phenyl ring.
Last Modified23 October 2015
Submitterhcourrier
DownloadsMolfile
FormulaC10H10O3
Net Charge0
Average Mass178.187
Monoisotopic Mass178.06299
SMILESCOc1ccc(C=CC(=O)O)cc1
InChIInChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)
InChIKeyAFDXODALSZRGIH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-methoxycinnamic acid (CHEBI:48541) has functional parent cinnamic acid (CHEBI:27386)
4-methoxycinnamic acid (CHEBI:48541) is a methoxycinnamic acid (CHEBI:61407)
Incoming Relation(s)
(1R,2S,3S,4S)-4-formyl-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]cyclohexyl (2E)-3-(4-methoxyphenyl)acrylate (CHEBI:48414) has functional parent 4-methoxycinnamic acid (CHEBI:48541)
senegasaponin a (CHEBI:74453) has functional parent 4-methoxycinnamic acid (CHEBI:48541)
senegasaponin b (CHEBI:74448) has functional parent 4-methoxycinnamic acid (CHEBI:48541)
senegin III (CHEBI:66469) has functional parent 4-methoxycinnamic acid (CHEBI:48541)
IUPAC Name 
3-(4-methoxyphenyl)prop-2-enoic acid
Synonyms  Source
3-(4-Methoxyphenyl)-2-propenoic acidChemIDplus
4-Methoxycinnamic acidChemIDplus
p-Methoxycinnamic acidChemIDplus
3-(4-methoxyphenyl)acrylic acidIUPAC
Registry NumbersSources
Reaxys:510468Reaxys
CAS:830-09-1ChemIDplus