[2-(3-Acetyloxyprop-1-en-2-yl)-5-methylphenyl] 2-methylbut-2-enoate
| Internal ID | 92095793-19b0-4736-a2ba-8bb8644a2c53 |
| Taxonomy | Benzenoids > Phenol esters |
| IUPAC Name | [2-(3-acetyloxyprop-1-en-2-yl)-5-methylphenyl] 2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H20O4/c1-6-12(3)17(19)21-16-9-11(2)7-8-15(16)13(4)10-20-14(5)18/h6-9H,4,10H2,1-3,5H3 |
| InChI Key | YQTJNXJVGGXRFW-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C17H20O4 |
| Molecular Weight | 288.34 g/mol |
| Exact Mass | 288.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of [2-(3-Acetyloxyprop-1-en-2-yl)-5-methylphenyl] 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-3-acetyloxyprop-1-en-2-yl-5-methylphenyl-2-methylbut-2-enoate.jpg "2D Structure of [2-(3-Acetyloxyprop-1-en-2-yl)-5-methylphenyl] 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.58% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 92.74% | 97.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.72% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.20% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.79% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.70% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.24% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.18% | 96.95% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 86.03% | 81.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.87% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.46% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.10% | 96.00% |
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.
| Eupatorium cannabinum |
| Eupatorium fortunei |
| PubChem | 73809271 |
| LOTUS | LTS0168394 |
| wikiData | Q105352573 |