4-[1-[4-ethenyl-2-(furan-3-yl)-5-oxo-2H-furan-3-yl]ethyl]-3H-2-benzofuran-1-one
| Internal ID | f62649b9-b18f-4d8b-874a-caf2fb5b75dd |
| Taxonomy | Organoheterocyclic compounds > Isocoumarans > Isobenzofuranones > Phthalides |
| IUPAC Name | 4-[1-[4-ethenyl-2-(furan-3-yl)-5-oxo-2H-furan-3-yl]ethyl]-3H-2-benzofuran-1-one |
| SMILES (Canonical) | CC(C1=CC=CC2=C1COC2=O)C3=C(C(=O)OC3C4=COC=C4)C=C |
| SMILES (Isomeric) | CC(C1=CC=CC2=C1COC2=O)C3=C(C(=O)OC3C4=COC=C4)C=C |
| InChI | InChI=1S/C20H16O5/c1-3-13-17(18(25-20(13)22)12-7-8-23-9-12)11(2)14-5-4-6-15-16(14)10-24-19(15)21/h3-9,11,18H,1,10H2,2H3 |
| InChI Key | SOQMKYUDTQPTRT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H16O5 |
| Molecular Weight | 336.30 g/mol |
| Exact Mass | 336.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 65.70 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 4-[1-[4-ethenyl-2-(furan-3-yl)-5-oxo-2H-furan-3-yl]ethyl]-3H-2-benzofuran-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/4-1-4-ethenyl-2-furan-3-yl-5-oxo-2h-furan-3-ylethyl-3h-2-benzofuran-1-one.jpg "2D Structure of 4-[1-[4-ethenyl-2-(furan-3-yl)-5-oxo-2H-furan-3-yl]ethyl]-3H-2-benzofuran-1-one")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.45% | 91.49% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 97.42% | 92.51% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.04% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.71% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.97% | 97.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.62% | 96.47% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.86% | 89.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.41% | 97.25% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 87.72% | 96.12% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.04% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.04% | 96.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.31% | 93.31% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.31% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.22% | 94.73% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.99% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.62% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.10% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.06% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.87% | 94.45% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.81% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.84% | 93.56% |
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.
| Salvia xalapensis |
| PubChem | 72811400 |
| LOTUS | LTS0189281 |
| wikiData | Q105257112 |