4H-Dibenzo(de,g)quinoline-1,10-diol, 5,6,6a,7-tetrahydro-2-methoxy-6-methyl-9-(4-(((1S)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-, (6aR)-
| Internal ID | c48c41ac-8e30-42f2-b549-47f11fc3077e |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (6aR)-9-[4-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol |
| SMILES (Canonical) | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)O)OC5=CC=C(C=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O)O)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC(=C(C=C43)O)OC5=CC=C(C=C5)C[C@H]6C7=CC(=C(C=C7CCN6C)OC)O)O)OC |
| InChI | InChI=1S/C36H38N2O6/c1-37-11-9-21-15-31(42-3)29(39)18-25(21)27(37)13-20-5-7-24(8-6-20)44-32-17-23-14-28-34-22(10-12-38(28)2)16-33(43-4)36(41)35(34)26(23)19-30(32)40/h5-8,15-19,27-28,39-41H,9-14H2,1-4H3/t27-,28+/m0/s1 |
| InChI Key | BOIKIQGXBLVZFH-WUFINQPMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H38N2O6 |
| Molecular Weight | 594.70 g/mol |
| Exact Mass | 594.27298694 g/mol |
| Topological Polar Surface Area (TPSA) | 94.90 Ų |
| XlogP | 5.80 |
| Chitraline |
| 4H-Dibenzo(de,g)quinoline-1,10-diol, 5,6,6a,7-tetrahydro-2-methoxy-6-methyl-9-(4-(((1S)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-, (6aR)- |
| DTXSID50998948 |
| 9-{4-[(7-Hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenoxy}-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.53% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.28% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.25% | 91.49% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 96.92% | 95.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.48% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.33% | 91.11% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 96.02% | 95.34% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 95.50% | 91.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 95.29% | 95.89% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 94.85% | 91.79% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.73% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 94.25% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.06% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.91% | 94.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 92.62% | 95.17% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 91.40% | 91.03% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.24% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.64% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.49% | 86.33% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 89.65% | 96.76% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.17% | 98.75% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 89.13% | 88.48% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 87.73% | 95.12% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.79% | 95.78% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 85.47% | 91.96% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 84.77% | 90.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.71% | 97.09% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 84.70% | 95.53% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.46% | 90.24% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.11% | 92.94% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 82.79% | 96.25% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 82.78% | 97.53% |
| CHEMBL1808 | P12821 | Angiotensin-converting enzyme | 82.12% | 93.39% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.64% | 93.65% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.44% | 99.15% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.14% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.08% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.01% | 90.71% |
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 |
| Berberis orthobotrys |
| PubChem | 157105 |
| LOTUS | LTS0194304 |
| wikiData | Q82991769 |