2,3,10,11-Tetramethoxy-13-(2,3,10,11-tetramethoxy-8-oxo-5,6-dihydroisoquinolino[2,1-b]isoquinolin-13-yl)-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one
| Internal ID | bd97bb56-d7ef-4c6e-afca-8e92b9844bea |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Bipyridines and oligopyridines |
| IUPAC Name | 2,3,10,11-tetramethoxy-13-(2,3,10,11-tetramethoxy-8-oxo-5,6-dihydroisoquinolino[2,1-b]isoquinolin-13-yl)-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)CCN3C2=C(C4=CC(=C(C=C4C3=O)OC)OC)C5=C6C7=CC(=C(C=C7CCN6C(=O)C8=CC(=C(C=C85)OC)OC)OC)OC)OC |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)CCN3C2=C(C4=CC(=C(C=C4C3=O)OC)OC)C5=C6C7=CC(=C(C=C7CCN6C(=O)C8=CC(=C(C=C85)OC)OC)OC)OC)OC |
| InChI | InChI=1S/C42H40N2O10/c1-47-29-13-21-9-11-43-39(23(21)15-31(29)49-3)37(25-17-33(51-5)35(53-7)19-27(25)41(43)45)38-26-18-34(52-6)36(54-8)20-28(26)42(46)44-12-10-22-14-30(48-2)32(50-4)16-24(22)40(38)44/h13-20H,9-12H2,1-8H3 |
| InChI Key | BTUBKZMOEXZVLN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H40N2O10 |
| Molecular Weight | 732.80 g/mol |
| Exact Mass | 732.26829548 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of 2,3,10,11-Tetramethoxy-13-(2,3,10,11-tetramethoxy-8-oxo-5,6-dihydroisoquinolino[2,1-b]isoquinolin-13-yl)-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/9bf83020-87dc-11ee-8324-ef964ba91b7a.jpg "2D Structure of 2,3,10,11-Tetramethoxy-13-(2,3,10,11-tetramethoxy-8-oxo-5,6-dihydroisoquinolino[2,1-b]isoquinolin-13-yl)-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-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 |
|---|---|---|---|---|
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 96.09% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.95% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.83% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.73% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.99% | 93.40% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 91.71% | 92.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.73% | 86.33% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 88.57% | 95.34% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.31% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.82% | 94.00% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 86.64% | 91.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.30% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.23% | 95.89% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 85.03% | 95.53% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 84.40% | 94.78% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.12% | 93.99% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.00% | 85.14% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.37% | 96.43% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.29% | 90.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.06% | 91.11% |
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 ilicifolia |
| PubChem | 101693457 |
| LOTUS | LTS0083992 |
| wikiData | Q104945865 |