1-(6-Methoxy-3-oxo-2-propan-2-ylidene-1-benzofuran-5-yl)ethyl propanoate
| Internal ID | e2d5b8cc-fdce-4287-b1b5-b5c1d9eeccb1 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans |
| IUPAC Name | 1-(6-methoxy-3-oxo-2-propan-2-ylidene-1-benzofuran-5-yl)ethyl propanoate |
| SMILES (Canonical) | CCC(=O)OC(C)C1=C(C=C2C(=C1)C(=O)C(=C(C)C)O2)OC |
| SMILES (Isomeric) | CCC(=O)OC(C)C1=C(C=C2C(=C1)C(=O)C(=C(C)C)O2)OC |
| InChI | InChI=1S/C17H20O5/c1-6-15(18)21-10(4)11-7-12-14(8-13(11)20-5)22-17(9(2)3)16(12)19/h7-8,10H,6H2,1-5H3 |
| InChI Key | YURTZOPWAWAXDX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H20O5 |
| Molecular Weight | 304.34 g/mol |
| Exact Mass | 304.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
| 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 | 96.61% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.52% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.08% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.62% | 95.56% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.74% | 89.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.15% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.03% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.94% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.88% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.44% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.29% | 94.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.06% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.46% | 97.21% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.88% | 90.71% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.42% | 96.77% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.16% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.46% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.93% | 99.23% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.52% | 82.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.02% | 92.62% |
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.
| Enceliopsis argophylla |
| PubChem | 162917100 |
| LOTUS | LTS0159298 |
| wikiData | Q105364481 |