1-[4-Methoxy-3-(3-methylbut-2-enyl)-2-oxochromen-5-yl]ethyl propanoate
| Internal ID | f9fb2485-b125-4d6c-9815-6993b17d74fd |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 1-[4-methoxy-3-(3-methylbut-2-enyl)-2-oxochromen-5-yl]ethyl propanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H24O5/c1-6-17(21)24-13(4)14-8-7-9-16-18(14)19(23-5)15(20(22)25-16)11-10-12(2)3/h7-10,13H,6,11H2,1-5H3 |
| InChI Key | BBBGOZCECWORCD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O5 |
| Molecular Weight | 344.40 g/mol |
| Exact Mass | 344.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 1-[4-Methoxy-3-(3-methylbut-2-enyl)-2-oxochromen-5-yl]ethyl propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/1-4-methoxy-3-3-methylbut-2-enyl-2-oxochromen-5-ylethyl-propanoate.jpg "2D Structure of 1-[4-Methoxy-3-(3-methylbut-2-enyl)-2-oxochromen-5-yl]ethyl propanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.66% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.96% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.44% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.33% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.31% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.39% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.20% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.77% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.53% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.10% | 98.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.87% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.84% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.67% | 96.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.53% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.64% | 99.23% |
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.
| Bothriocline longipes |
| PubChem | 163039142 |
| LOTUS | LTS0213246 |
| wikiData | Q104922617 |