CHEBI:27794 - isoferulic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name isoferulic acid
Definition A ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 4 and 3 respectively on the phenyl ring.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:6010, CHEBI:24888
Supplier Information
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Formula C10H10O4
Net Charge 0
Average Mass 194.18400
Monoisotopic Mass 194.05791
InChI InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
SMILES COc1ccc(\C=C\C(O)=O)cc1O
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): biomarker
A substance used as an indicator of a biological state.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing isoferulic acid (CHEBI:27794) has role antioxidant (CHEBI:22586)
isoferulic acid (CHEBI:27794) has role biomarker (CHEBI:59163)
isoferulic acid (CHEBI:27794) has role metabolite (CHEBI:25212)
isoferulic acid (CHEBI:27794) is a ferulic acids (CHEBI:24031)
Incoming isovitexin 7-O-[isoferuloyl]-glucoside (CHEBI:75371) has functional parent isoferulic acid (CHEBI:27794)
(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
Synonyms Sources
3-Hydroxy-4-methoxycinnamic acid HMDB
Hesperetic acid HMDB
Manual Xrefs Databases
4FE PDBeChem
C00002752 KNApSAcK
DB07109 DrugBank
HMDB0000955 HMDB
View more database links
Registry Numbers Types Sources
2212760 Reaxys Registry Number Reaxys
537-73-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
18314290 PubMed citation Europe PMC
21937734 PubMed citation Europe PMC
21941899 PubMed citation Europe PMC
22770225 PubMed citation Europe PMC
Last Modified
23 October 2015