7-Methoxy-1,2,6-trimethylisoquinoline-3,5,8-trione
| Internal ID | 5e117cb1-a5ae-43a8-955a-5041dc51d9ef |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Isoquinoline quinones |
| IUPAC Name | 7-methoxy-1,2,6-trimethylisoquinoline-3,5,8-trione |
| SMILES (Canonical) | CC1=C(C(=O)C2=C(N(C(=O)C=C2C1=O)C)C)OC |
| SMILES (Isomeric) | CC1=C(C(=O)C2=C(N(C(=O)C=C2C1=O)C)C)OC |
| InChI | InChI=1S/C13H13NO4/c1-6-11(16)8-5-9(15)14(3)7(2)10(8)12(17)13(6)18-4/h5H,1-4H3 |
| InChI Key | ZYWCMKYDEGVQCK-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C13H13NO4 |
| Molecular Weight | 247.25 g/mol |
| Exact Mass | 247.08445790 g/mol |
| Topological Polar Surface Area (TPSA) | 63.70 Ų |
| XlogP | 0.30 |
| BDBM50398331 |
| 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 | 95.19% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.05% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.66% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.63% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.05% | 94.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 85.43% | 96.67% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.99% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.54% | 90.00% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 81.51% | 91.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.40% | 93.40% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.82% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.78% | 98.75% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.74% | 94.42% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.39% | 93.65% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.31% | 94.73% |
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.
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| There are no matching plants. |
| PubChem | 44566893 |
| LOTUS | LTS0134569 |
| wikiData | Q105386475 |