4-[5-[[6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenoxy]benzaldehyde
| Internal ID | 29ff76e7-2aca-461c-ada8-012ace1ba288 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | 4-[5-[[6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenoxy]benzaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H38N2O8/c1-38-14-13-25-19-33(44-4)35(45-5)36(47-32-20-27-24(18-31(32)43-3)12-15-39(2)37(27)42)34(25)28(38)16-23-8-11-29(41)30(17-23)46-26-9-6-22(21-40)7-10-26/h6-11,17-21,28,41H,12-16H2,1-5H3 |
| InChI Key | PKCJVBBDONPCNC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H38N2O8 |
| Molecular Weight | 638.70 g/mol |
| Exact Mass | 638.26281617 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of 4-[5-[[6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenoxy]benzaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/155392a0-8509-11ee-9fcc-e10304dcaed3.jpg "2D Structure of 4-[5-[[6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenoxy]benzaldehyde")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.94% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.74% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.54% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.32% | 93.40% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 96.07% | 90.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.29% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.83% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.56% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.74% | 99.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.83% | 83.82% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.82% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.36% | 98.75% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 92.07% | 80.78% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 91.20% | 91.03% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.01% | 92.94% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.75% | 92.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.63% | 95.89% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 87.14% | 96.76% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 87.06% | 95.53% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 86.02% | 96.69% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 85.64% | 91.00% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 84.78% | 90.95% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 84.70% | 95.34% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.54% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.32% | 93.99% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.48% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.72% | 99.15% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.20% | 91.07% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.93% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.51% | 89.00% |
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 lycium |
| PubChem | 162975683 |
| LOTUS | LTS0065502 |
| wikiData | Q105210317 |