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CHEBI:28122 - p-cumic acid
| Formula | C10H12O2 |
| Net Charge | 0 |
| Average Mass | 164.204 |
| Monoisotopic Mass | 164.08373 |
| SMILES | CC(C)c1ccc(C(=O)O)cc1 |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Bridelia retusa (ncbitaxon:283087) | stem (BTO:0001300) | PubMed (12560039) | stem bark |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | 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 Relation(s) |
| 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 Relation(s) |
| 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 | Source |
|---|---|
| 4-Isopropylbenzoic acid | ChemIDplus |
| Cumic acid | ChemIDplus |
| Cuminic acid | ChemIDplus |
| p-Isopropylbenzoic acid | ChemIDplus |
| 4-(1-Methylethyl)benzoic acid | ChemIDplus |
| 4-propan-2-ylbenzoic acid | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| C06578 | KEGG COMPOUND |
| HMDB0035268 | HMDB |
| CN101843243 | Patent |
| C00036581 | KNApSAcK |
| 4IA | PDBeChem |
| Citations |
|---|