[(1S)-1-(6-methoxy-3-oxo-2-propan-2-ylidene-1-benzofuran-5-yl)ethyl] 2-methylpropanoate
| Internal ID | 267d113e-2976-4354-878d-1e9ad91035a1 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans |
| IUPAC Name | [(1S)-1-(6-methoxy-3-oxo-2-propan-2-ylidene-1-benzofuran-5-yl)ethyl] 2-methylpropanoate |
| SMILES (Canonical) | CC(C)C(=O)OC(C)C1=C(C=C2C(=C1)C(=O)C(=C(C)C)O2)OC |
| SMILES (Isomeric) | C[C@@H](C1=C(C=C2C(=C1)C(=O)C(=C(C)C)O2)OC)OC(=O)C(C)C |
| InChI | InChI=1S/C18H22O5/c1-9(2)17-16(19)13-7-12(11(5)22-18(20)10(3)4)14(21-6)8-15(13)23-17/h7-8,10-11H,1-6H3/t11-/m0/s1 |
| InChI Key | VHOVBMOMVZFLIL-NSHDSACASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H22O5 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of [(1S)-1-(6-methoxy-3-oxo-2-propan-2-ylidene-1-benzofuran-5-yl)ethyl] 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/1s-1-6-methoxy-3-oxo-2-propan-2-ylidene-1-benzofuran-5-ylethyl-2-methylpropanoate.jpg "2D Structure of [(1S)-1-(6-methoxy-3-oxo-2-propan-2-ylidene-1-benzofuran-5-yl)ethyl] 2-methylpropanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 94.09% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.02% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.86% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.03% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.34% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.78% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.84% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.10% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.18% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.84% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.68% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.63% | 91.19% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.43% | 89.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.27% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.79% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.76% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.38% | 90.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.30% | 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 | 162910406 |
| LOTUS | LTS0207136 |
| wikiData | Q105286543 |