1-(6-Methoxy-3-oxo-2-propan-2-ylidene-1-benzofuran-5-yl)ethyl 2-methylprop-2-enoate
| Internal ID | 63891444-8cb4-485d-9200-8eadc811af36 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans |
| IUPAC Name | 1-(6-methoxy-3-oxo-2-propan-2-ylidene-1-benzofuran-5-yl)ethyl 2-methylprop-2-enoate |
| SMILES (Canonical) | CC(C1=C(C=C2C(=C1)C(=O)C(=C(C)C)O2)OC)OC(=O)C(=C)C |
| SMILES (Isomeric) | CC(C1=C(C=C2C(=C1)C(=O)C(=C(C)C)O2)OC)OC(=O)C(=C)C |
| InChI | InChI=1S/C18H20O5/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/h7-8,11H,3H2,1-2,4-6H3 |
| InChI Key | QCQSZSJHQUUPDV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H20O5 |
| Molecular Weight | 316.30 g/mol |
| Exact Mass | 316.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 4.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.48% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.16% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.51% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.36% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.47% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.87% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.07% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.03% | 91.19% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.52% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.85% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.48% | 94.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.42% | 89.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.27% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.85% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.57% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.48% | 98.75% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 81.18% | 96.86% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.55% | 90.71% |
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 | 162940588 |
| LOTUS | LTS0149002 |
| wikiData | Q105218476 |