[(1S)-1-(6-methoxy-3-oxo-2-propan-2-ylidene-1-benzofuran-5-yl)ethyl] 3-methylbut-2-enoate
| Internal ID | b537266a-f2a0-4be2-abfc-37def385cb7d |
| Taxonomy | Organoheterocyclic compounds > Benzofurans |
| IUPAC Name | [(1S)-1-(6-methoxy-3-oxo-2-propan-2-ylidene-1-benzofuran-5-yl)ethyl] 3-methylbut-2-enoate |
| SMILES (Canonical) | CC(C1=C(C=C2C(=C1)C(=O)C(=C(C)C)O2)OC)OC(=O)C=C(C)C |
| SMILES (Isomeric) | C[C@@H](C1=C(C=C2C(=C1)C(=O)C(=C(C)C)O2)OC)OC(=O)C=C(C)C |
| InChI | InChI=1S/C19H22O5/c1-10(2)7-17(20)23-12(5)13-8-14-16(9-15(13)22-6)24-19(11(3)4)18(14)21/h7-9,12H,1-6H3/t12-/m0/s1 |
| InChI Key | OZKSRPIJSBOBIW-LBPRGKRZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22O5 |
| Molecular Weight | 330.40 g/mol |
| Exact Mass | 330.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of [(1S)-1-(6-methoxy-3-oxo-2-propan-2-ylidene-1-benzofuran-5-yl)ethyl] 3-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/1s-1-6-methoxy-3-oxo-2-propan-2-ylidene-1-benzofuran-5-ylethyl-3-methylbut-2-enoate.jpg "2D Structure of [(1S)-1-(6-methoxy-3-oxo-2-propan-2-ylidene-1-benzofuran-5-yl)ethyl] 3-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.67% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.63% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.33% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.15% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.10% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.59% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.79% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.78% | 89.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.47% | 89.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.19% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.25% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.64% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.73% | 98.75% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.41% | 96.77% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.34% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.52% | 91.19% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.87% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.63% | 94.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.52% | 91.07% |
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 | 162933016 |
| LOTUS | LTS0024909 |
| wikiData | Q105203895 |