Benzyl 3-methylbenzoate
| Internal ID | 880365bc-4c03-4119-a782-8f6e4c8439fa |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acid esters |
| IUPAC Name | benzyl 3-methylbenzoate |
| SMILES (Canonical) | CC1=CC(=CC=C1)C(=O)OCC2=CC=CC=C2 |
| SMILES (Isomeric) | CC1=CC(=CC=C1)C(=O)OCC2=CC=CC=C2 |
| InChI | InChI=1S/C15H14O2/c1-12-6-5-9-14(10-12)15(16)17-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3 |
| InChI Key | MQFWKCFSZJWETP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H14O2 |
| Molecular Weight | 226.27 g/mol |
| Exact Mass | 226.099379685 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 4.30 |
| m-Toluylic acid, benzyl ester |
| 137932-33-3 |
| m-Toluic acid, benzyl ester |
| Benzyl 3-methylbenzoate # |
| SCHEMBL6057244 |
| MQFWKCFSZJWETP-UHFFFAOYSA-N |
| NSC17940 |
| NSC-17940 |
| AN-652/41399045 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.90% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.75% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.15% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.32% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.52% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.20% | 96.09% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.14% | 91.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.46% | 90.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.30% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.33% | 95.50% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.60% | 94.62% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.44% | 100.00% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 80.15% | 92.67% |
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.
| Achillea abrotanoides |
| PubChem | 226951 |
| LOTUS | LTS0215097 |
| wikiData | Q105169976 |