Daurinoline
| Internal ID | 86f955ba-5c18-495b-a58f-21f4898af591 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | (1R)-1-[[4-[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenoxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H42N2O6/c1-38-14-12-25-19-33(41)34(42-3)21-28(25)30(38)16-23-6-9-27(10-7-23)45-35-18-24(8-11-32(35)40)17-31-29-22-37(44-5)36(43-4)20-26(29)13-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31-/m1/s1 |
| InChI Key | APIHNXDZCYDPTF-FIRIVFDPSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C37H42N2O6 |
| Molecular Weight | 610.70 g/mol |
| Exact Mass | 610.30428706 g/mol |
| Topological Polar Surface Area (TPSA) | 83.90 Ų |
| XlogP | 6.40 |
| 2831-75-6 |
| (1R)-1-[[4-[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenoxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol |
| CAA83175 |
| HY-N2104 |
| AKOS030573557 |
| FS-7069 |
| PD118442 |
| CS-0018625 |
| Q-100358 |
| 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 | 99.26% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.28% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.21% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 94.14% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.97% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.50% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.38% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.21% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.91% | 94.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 91.16% | 91.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.40% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.63% | 93.99% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.50% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.92% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.00% | 92.62% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.84% | 91.49% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.64% | 92.94% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 86.69% | 91.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 85.49% | 95.12% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 84.85% | 91.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.05% | 94.45% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 83.89% | 96.76% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 82.61% | 90.95% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 82.07% | 88.48% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 81.78% | 95.70% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.74% | 99.15% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 81.07% | 91.96% |
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.
| Menispermum canadense |
| PubChem | 12309092 |
| LOTUS | LTS0101598 |
| wikiData | Q104916311 |