Methyl 3,4-dimethoxy-2-[(7-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-8-yl)oxy]benzoate
| Internal ID | 526f2a45-d6fb-4413-9cb4-5fb60726313d |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Isoquinolones and derivatives |
| IUPAC Name | methyl 3,4-dimethoxy-2-[(7-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-8-yl)oxy]benzoate |
| SMILES (Canonical) | CN1CCC2=C(C1=O)C(=C(C=C2)OC)OC3=C(C=CC(=C3OC)OC)C(=O)OC |
| SMILES (Isomeric) | CN1CCC2=C(C1=O)C(=C(C=C2)OC)OC3=C(C=CC(=C3OC)OC)C(=O)OC |
| InChI | InChI=1S/C21H23NO7/c1-22-11-10-12-6-8-14(25-2)18(16(12)20(22)23)29-17-13(21(24)28-5)7-9-15(26-3)19(17)27-4/h6-9H,10-11H2,1-5H3 |
| InChI Key | YEEIJXVGAOGBJG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H23NO7 |
| Molecular Weight | 401.40 g/mol |
| Exact Mass | 401.14745207 g/mol |
| Topological Polar Surface Area (TPSA) | 83.50 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of Methyl 3,4-dimethoxy-2-[(7-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-8-yl)oxy]benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-34-dimethoxy-2-7-methoxy-2-methyl-1-oxo-34-dihydroisoquinolin-8-yloxybenzoate.jpg "2D Structure of Methyl 3,4-dimethoxy-2-[(7-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-8-yl)oxy]benzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.35% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.70% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 95.76% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.14% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.82% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.11% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.72% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.50% | 94.00% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 84.26% | 91.00% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 83.77% | 96.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.36% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.28% | 94.45% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 83.26% | 85.83% |
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.
| Sarcocapnos enneaphylla subsp. saetabensis |
| PubChem | 14734391 |
| LOTUS | LTS0239255 |
| wikiData | Q105347187 |