6-(6,7-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one
| Internal ID | 0de82cb2-f175-4174-bfb7-eec0b5da385b |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Isoquinolones and derivatives |
| IUPAC Name | 6-(6,7-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one |
| SMILES (Canonical) | COC1=C(C2=C(C=C1)C(=O)OC2N3CCC4=CC5=C(C=C4C3=O)OCO5)OC |
| SMILES (Isomeric) | COC1=C(C2=C(C=C1)C(=O)OC2N3CCC4=CC5=C(C=C4C3=O)OCO5)OC |
| InChI | InChI=1S/C20H17NO7/c1-24-13-4-3-11-16(17(13)25-2)19(28-20(11)23)21-6-5-10-7-14-15(27-9-26-14)8-12(10)18(21)22/h3-4,7-8,19H,5-6,9H2,1-2H3 |
| InChI Key | XSCQOQQIGQZNLI-UHFFFAOYSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C20H17NO7 |
| Molecular Weight | 383.40 g/mol |
| Exact Mass | 383.10050188 g/mol |
| Topological Polar Surface Area (TPSA) | 83.50 Ų |
| XlogP | 2.40 |
| NSC-279527 |
![2D Structure of 6-(6,7-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/6-67-dimethoxy-3-oxo-1h-2-benzofuran-1-yl-78-dihydro-13dioxolo45-gisoquinolin-5-one.jpg "2D Structure of 6-(6,7-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.88% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.69% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.36% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.29% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.40% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.39% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.84% | 91.11% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 90.64% | 82.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.41% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.48% | 95.89% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 87.98% | 96.86% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.93% | 97.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.82% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.16% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.08% | 98.75% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 86.03% | 96.76% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.91% | 92.62% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.96% | 83.82% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 83.10% | 91.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.91% | 90.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.25% | 93.99% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 82.16% | 90.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.58% | 100.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.18% | 82.38% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.48% | 94.78% |
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.
| Berberis integerrima |
| PubChem | 322371 |
| LOTUS | LTS0254041 |
| wikiData | Q105340947 |