p-cumic acid (CHEBI:28122)

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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

Download	Molfile XML SDF

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Formulae

C10H12O2
C10H12O2

Net Charge

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.

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

Last Modified

28 May 2021