8-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one
| Internal ID | 4399d9c7-9c61-4e0c-987a-4acbaa635572 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Isoquinolones and derivatives |
| IUPAC Name | 8-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one |
| SMILES (Canonical) | CN1CCC2=CC(=C(C(=C2C1)OC3=CC(=CC4=C3C(=O)N(CC4)C)OC)OC)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C(=C2C1)OC3=CC(=CC4=C3C(=O)N(CC4)C)OC)OC)OC |
| InChI | InChI=1S/C23H28N2O5/c1-24-8-6-14-11-19(28-4)22(29-5)21(17(14)13-24)30-18-12-16(27-3)10-15-7-9-25(2)23(26)20(15)18/h10-12H,6-9,13H2,1-5H3 |
| InChI Key | KOJHRKMQTQYCMO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H28N2O5 |
| Molecular Weight | 412.50 g/mol |
| Exact Mass | 412.19982200 g/mol |
| Topological Polar Surface Area (TPSA) | 60.50 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 8-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/52f1dcd0-8409-11ee-b63d-cf60911ff36f.jpg "2D Structure of 8-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-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 |
|---|---|---|---|---|
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 98.54% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.09% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.59% | 95.56% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 95.21% | 91.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.33% | 90.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.98% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.28% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.61% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.86% | 86.33% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.83% | 91.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.44% | 98.95% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 86.65% | 93.65% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.66% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.28% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.89% | 94.45% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 84.13% | 92.98% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 83.93% | 81.29% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.63% | 96.43% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 83.31% | 96.86% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.30% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.79% | 91.11% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 82.78% | 92.38% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.77% | 95.62% |
| CHEMBL267 | P12931 | Tyrosine-protein kinase SRC | 82.64% | 95.69% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.50% | 95.89% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 81.42% | 100.00% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.75% | 95.53% |
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 brandisiana |
| PubChem | 163104756 |
| LOTUS | LTS0067416 |
| wikiData | Q105143839 |