[2-[(2,3-Dimethylphenyl)methyl]-4-methylfuran-3-yl]methyl 2-methylbut-2-enoate
| Internal ID | 799b23cd-bfc2-43c5-9327-e135fe1e3420 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Xylenes > o-Xylenes |
| IUPAC Name | [2-[(2,3-dimethylphenyl)methyl]-4-methylfuran-3-yl]methyl 2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H24O3/c1-6-13(2)20(21)23-12-18-15(4)11-22-19(18)10-17-9-7-8-14(3)16(17)5/h6-9,11H,10,12H2,1-5H3 |
| InChI Key | KPKYGFYBRSEOLB-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H24O3 |
| Molecular Weight | 312.40 g/mol |
| Exact Mass | 312.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 39.40 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of [2-[(2,3-Dimethylphenyl)methyl]-4-methylfuran-3-yl]methyl 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-23-dimethylphenylmethyl-4-methylfuran-3-ylmethyl-2-methylbut-2-enoate.jpg "2D Structure of [2-[(2,3-Dimethylphenyl)methyl]-4-methylfuran-3-yl]methyl 2-methylbut-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.54% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.96% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.23% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.80% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.63% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.99% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.93% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.72% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.31% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.20% | 99.23% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.06% | 96.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.22% | 94.00% |
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.
| Senecio glutinosus |
| PubChem | 162969681 |
| LOTUS | LTS0082681 |
| wikiData | Q105144267 |