CHEBI:86612 - dihydroferulic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name dihydroferulic acid
ChEBI ID CHEBI:86612
Definition A monocarboxylic acid that is propanoic acid in which one of the hydrogens at position 3 has been replaced by a 4-hydroxy-3-methoxyphenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H12O4
Net Charge 0
Average Mass 196.200
Monoisotopic Mass 196.074
InChI InChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)
InChIKey BOLQJTPHPSDZHR-UHFFFAOYSA-N
SMILES C=1(C=C(C(=CC1)O)OC)CCC(=O)O
Metabolite of Species Details
Mus musculus (NCBI:10090) See: PubMed
Gypsophila paniculata (NCBI:235358) See: PubMed
Pseudostellaria heterophylla (NCBI:418402) Found in root (BTO:0001188). See: PubMed
Homo sapiens (NCBI:9606) Found in blood See: PubMed
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): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing dihydroferulic acid (CHEBI:86612) has functional parent propionic acid (CHEBI:30768)
dihydroferulic acid (CHEBI:86612) has role antioxidant (CHEBI:22586)
dihydroferulic acid (CHEBI:86612) has role human xenobiotic metabolite (CHEBI:76967)
dihydroferulic acid (CHEBI:86612) has role mouse metabolite (CHEBI:75771)
dihydroferulic acid (CHEBI:86612) has role plant metabolite (CHEBI:76924)
dihydroferulic acid (CHEBI:86612) is a guaiacols (CHEBI:134251)
dihydroferulic acid (CHEBI:86612) is a monocarboxylic acid (CHEBI:25384)
dihydroferulic acid (CHEBI:86612) is a phenylpropanoid (CHEBI:26004)
dihydroferulic acid (CHEBI:86612) is conjugate acid of dihydroferulate (CHEBI:133751)
Incoming dihydroferulate (CHEBI:133751) is conjugate base of dihydroferulic acid (CHEBI:86612)
IUPAC Name
3-(4-hydroxy-3-methoxyphenyl)propanoic acid
Synonyms Sources
3-(4-Hydroxy-3-methoxyphenyl)propionic acid ChemIDplus
Dihydroconiferylic acid ChemIDplus
Database Link Database
C00040946 KNApSAcK
View more database links
Registry Numbers Types Sources
1135-23-5 CAS Registry Number NIST Chemistry WebBook
1135-23-5 CAS Registry Number ChemIDplus
2110370 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11368919 PubMed citation Europe PMC
11693915 PubMed citation Europe PMC
17469871 PubMed citation Europe PMC
19157126 PubMed citation Europe PMC
21676405 PubMed citation Europe PMC
23904092 PubMed citation Europe PMC
23982107 PubMed citation Europe PMC
24947504 PubMed citation Europe PMC
24949277 PubMed citation Europe PMC
25261518 PubMed citation Europe PMC
25644343 PubMed citation Europe PMC
25809126 PubMed citation Europe PMC
26471074 PubMed citation Europe PMC
26899568 PubMed citation Europe PMC
27102241 PubMed citation Europe PMC
27689343 PubMed citation Europe PMC
IND601125916 Agricola citation Europe PMC
Last Modified
07 April 2017