o-Toluic Acid
| Internal ID | beaa17e7-d307-4386-b19c-30208b27525f |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acids |
| IUPAC Name | 2-methylbenzoic acid |
| SMILES (Canonical) | CC1=CC=CC=C1C(=O)O |
| SMILES (Isomeric) | CC1=CC=CC=C1C(=O)O |
| InChI | InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10) |
| InChI Key | ZWLPBLYKEWSWPD-UHFFFAOYSA-N |
| Popularity | 455 references in papers |
| Molecular Formula | C8H8O2 |
| Molecular Weight | 136.15 g/mol |
| Exact Mass | 136.052429494 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 2.50 |
| 2-Methylbenzoic acid |
| 118-90-1 |
| o-Toluylic acid |
| Toluic acid |
| o-Methylbenzoic acid |
| 2-Toluic acid |
| Orthotoluic acid |
| Benzoic acid, 2-methyl- |
| 2-Methyl-Benzoic Acid |
| Benzoic acid, methyl- |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.95% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.75% | 98.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.34% | 95.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.27% | 93.00% |
| CHEMBL5847 | P52895 | Aldo-keto reductase family 1 member C2 | 82.90% | 92.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.70% | 86.33% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 82.44% | 87.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.34% | 94.73% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 81.37% | 81.11% |
| CHEMBL5028 | O14672 | ADAM10 | 80.54% | 97.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Arabidopsis thaliana |
| PubChem | 8373 |
| LOTUS | LTS0218237 |
| wikiData | Q3291707 |