CHEBI:28122 - p-cumic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name p-cumic acid
ChEBI ID CHEBI:28122
ChEBI ASCII Name p-cumic acid
Definition A cumic acid that consists of benzoic acid substituted by an isopropyl group at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10621, CHEBI:23411
Supplier Information
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Formulae C10H12O2
C10H12O2
Net Charge 0
Average Mass 164.204
Monoisotopic Mass 164.08373
InChI InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)
InChIKey CKMXAIVXVKGGFM-UHFFFAOYSA-N
SMILES CC(C)C1=CC=C(C=C1)C(O)=O
Metabolite of Species Details
Bridelia retusa (NCBI:txid283087) Found in stem (BTO:0001300). stem bark See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing p-cumic acid (CHEBI:28122) has role plant metabolite (CHEBI:76924)
p-cumic acid (CHEBI:28122) is a cumic acid (CHEBI:23412)
p-cumic acid (CHEBI:28122) is conjugate acid of p-cumate (CHEBI:25822)
Incoming 2,3-dihydroxy-p-cumic acid (CHEBI:16725) has functional parent p-cumic acid (CHEBI:28122)
p-cumate (CHEBI:25822) is conjugate base of p-cumic acid (CHEBI:28122)
IUPAC Name
4-(propan-2-yl)benzoic acid
Synonyms Sources
4-(1-Methylethyl)benzoic acid ChemIDplus
4-Isopropylbenzoic acid ChemIDplus
4-propan-2-ylbenzoic acid PDBeChem
Cumic acid ChemIDplus
Cuminic acid ChemIDplus
p-Isopropylbenzoic acid ChemIDplus
Manual Xrefs Databases
4IA PDBeChem
C00036581 KNApSAcK
C06578 KEGG COMPOUND
CN101843243 Patent
HMDB0035268 HMDB
View more database links
Registry Numbers Types Sources
1907514 Reaxys Registry Number Reaxys
536-66-3 CAS Registry Number KEGG COMPOUND
536-66-3 CAS Registry Number ChemIDplus
536-66-3 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
12560039 PubMed citation Europe PMC
25042713 PubMed citation Europe PMC
7385912 PubMed citation Europe PMC
845117 PubMed citation Europe PMC
Last Modified
28 May 2021