[2-[(2,3-dimethylphenyl)methyl]-4-methylfuran-3-yl]methyl (E)-3-methylpent-2-enoate
| Internal ID | 5a96570f-c9f1-4192-9a6b-8791dd236af3 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Xylenes > o-Xylenes |
| IUPAC Name | [2-[(2,3-dimethylphenyl)methyl]-4-methylfuran-3-yl]methyl (E)-3-methylpent-2-enoate |
| SMILES (Canonical) | CCC(=CC(=O)OCC1=C(OC=C1C)CC2=CC=CC(=C2C)C)C |
| SMILES (Isomeric) | CC/C(=C/C(=O)OCC1=C(OC=C1C)CC2=CC=CC(=C2C)C)/C |
| InChI | InChI=1S/C21H26O3/c1-6-14(2)10-21(22)24-13-19-16(4)12-23-20(19)11-18-9-7-8-15(3)17(18)5/h7-10,12H,6,11,13H2,1-5H3/b14-10+ |
| InChI Key | AUUABIKYBWIYMZ-GXDHUFHOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O3 |
| Molecular Weight | 326.40 g/mol |
| Exact Mass | 326.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 39.40 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of [2-[(2,3-dimethylphenyl)methyl]-4-methylfuran-3-yl]methyl (E)-3-methylpent-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-23-dimethylphenylmethyl-4-methylfuran-3-ylmethyl-e-3-methylpent-2-enoate.jpg "2D Structure of [2-[(2,3-dimethylphenyl)methyl]-4-methylfuran-3-yl]methyl (E)-3-methylpent-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 | 95.88% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.72% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.78% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.15% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.27% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.72% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.88% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.08% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.04% | 95.50% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.53% | 93.65% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.14% | 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.
| Euryops jacksonii |
| PubChem | 14890334 |
| LOTUS | LTS0080192 |
| wikiData | Q104919138 |