[(2S)-4-[(1S)-3-oxo-1H-2-benzofuran-1-yl]butan-2-yl] (Z)-2-methylbut-2-enoate
| Internal ID | 4331d065-09d6-4171-b59b-f0ae538e33c5 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans > Benzofuranones |
| IUPAC Name | [(2S)-4-[(1S)-3-oxo-1H-2-benzofuran-1-yl]butan-2-yl] (Z)-2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC(C)CCC1C2=CC=CC=C2C(=O)O1 |
| SMILES (Isomeric) | C/C=C(/C)\C(=O)O[C@@H](C)CC[C@H]1C2=CC=CC=C2C(=O)O1 |
| InChI | InChI=1S/C17H20O4/c1-4-11(2)16(18)20-12(3)9-10-15-13-7-5-6-8-14(13)17(19)21-15/h4-8,12,15H,9-10H2,1-3H3/b11-4-/t12-,15-/m0/s1 |
| InChI Key | JSAGVPHDQLARCV-GCUGINILSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H20O4 |
| Molecular Weight | 288.34 g/mol |
| Exact Mass | 288.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of [(2S)-4-[(1S)-3-oxo-1H-2-benzofuran-1-yl]butan-2-yl] (Z)-2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2s-4-1s-3-oxo-1h-2-benzofuran-1-ylbutan-2-yl-z-2-methylbut-2-enoate.jpg "2D Structure of [(2S)-4-[(1S)-3-oxo-1H-2-benzofuran-1-yl]butan-2-yl] (Z)-2-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 | 97.19% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.53% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.07% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.37% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.97% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.77% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.43% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.51% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.08% | 97.25% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.77% | 89.34% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.47% | 93.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.87% | 82.69% |
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.
| Angelica sinensis |
| PubChem | 162855599 |
| LOTUS | LTS0165410 |
| wikiData | Q105134220 |