6,7-Methylenedioxy-2-(6-acetyl-2,3-methylene-dioxybenzyl)-1(2h)-isoquinolinone
| Internal ID | 9d42bcc3-881a-4419-9a4a-a672f84176df |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Isoquinolones and derivatives |
| IUPAC Name | 6-[(5-acetyl-1,3-benzodioxol-4-yl)methyl]-[1,3]dioxolo[4,5-g]isoquinolin-5-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H15NO6/c1-11(22)13-2-3-16-19(27-10-24-16)15(13)8-21-5-4-12-6-17-18(26-9-25-17)7-14(12)20(21)23/h2-7H,8-10H2,1H3 |
| InChI Key | OYCDIRUGACCROL-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C20H15NO6 |
| Molecular Weight | 365.30 g/mol |
| Exact Mass | 365.08993720 g/mol |
| Topological Polar Surface Area (TPSA) | 74.30 Ų |
| XlogP | 2.30 |
| 6,7-methylenedioxy-2-(6-acetyl-2,3-methylene-dioxybenzyl)-1(2h)-isoquinolinone |
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.86% | 96.77% |
| CHEMBL240 | Q12809 | HERG | 95.44% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.40% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.80% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.79% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.56% | 93.40% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.51% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.35% | 86.33% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 89.22% | 94.42% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.17% | 94.45% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 88.98% | 92.51% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.85% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.43% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.00% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.61% | 90.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.85% | 93.10% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.77% | 94.00% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 82.55% | 85.83% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.47% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.87% | 99.23% |
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.
| Corydalis bungeana |
| PubChem | 12997611 |
| LOTUS | LTS0064827 |
| wikiData | Q105203110 |