CHEBI:583580 - 3,4,5-trimethoxydihydrocinnamic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3,4,5-trimethoxydihydrocinnamic acid
ChEBI ID CHEBI:583580
Definition A monocarboxylic acid consisting of propionic acid having a 3,4,5-trimethoxyphenyl substituent at the 3-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C12H16O5
Net Charge 0
Average Mass 240.25240
Monoisotopic Mass 240.09977
InChI InChI=1S/C12H16O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKey ZCYXGVJUZBKJAI-UHFFFAOYSA-N
SMILES COc1cc(CCC(O)=O)cc(OC)c1OC
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3,4,5-trimethoxydihydrocinnamic acid (CHEBI:583580) has functional parent propionic acid (CHEBI:30768)
3,4,5-trimethoxydihydrocinnamic acid (CHEBI:583580) is a monocarboxylic acid (CHEBI:25384)
3,4,5-trimethoxydihydrocinnamic acid (CHEBI:583580) is conjugate acid of 3,4,5-trimethoxydihydrocinnamate (CHEBI:58962)
Incoming 3,4,5-trimethoxydihydrocinnamate (CHEBI:58962) is conjugate base of 3,4,5-trimethoxydihydrocinnamic acid (CHEBI:583580)
IUPAC Name
3-(3,4,5-trimethoxyphenyl)propanoic acid
Synonyms Sources
3,4,5-Trimethoxyphenylpropionic acid NIST Chemistry WebBook
3-(3',4',5'-trimethoxyphenyl)propionic acid ChEBI
3-(3,4,5-Trimethoxyphenyl)propanoic acid NIST Chemistry WebBook
β-(3,4,5-Trimethoxy phenyl)propionic acid NIST Chemistry WebBook
Registry Numbers Types Sources
1471912 Reaxys Registry Number Reaxys
1471912 Beilstein Registry Number Beilstein
25173-72-2 CAS Registry Number ChemIDplus
25173-72-2 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
19812218 PubMed citation Europe PMC
3377143 PubMed citation Europe PMC
Last Modified
22 December 2015