5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-[[6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol
| Internal ID | 21ffa491-8ee7-41f6-bbad-a3c80b98f015 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | 5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-[[6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol |
| SMILES (Canonical) | CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC4=C(C=C(C=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC4=C(C=C(C=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC |
| InChI | InChI=1S/C38H44N2O6/c1-39-15-14-27-21-36(44-5)38(23-30(27)31(39)17-24-7-10-28(42-3)11-8-24)46-34-12-9-25(19-33(34)41)18-32-29-22-37(45-6)35(43-4)20-26(29)13-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3 |
| InChI Key | XARHOZCQSBWPOC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H44N2O6 |
| Molecular Weight | 624.80 g/mol |
| Exact Mass | 624.31993713 g/mol |
| Topological Polar Surface Area (TPSA) | 72.90 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of 5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-[[6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol](https://plantaedb.com/storage/docs/compounds/2023/11/32848df0-8596-11ee-a2b4-85ec5a3a784d.jpg "2D Structure of 5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-[[6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol")
| 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 | 99.29% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.02% | 85.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.31% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.57% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.24% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 94.20% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.72% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.46% | 95.56% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 92.80% | 96.76% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.11% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.23% | 98.75% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 89.50% | 91.03% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.01% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.70% | 86.33% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 87.67% | 91.00% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 87.59% | 90.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.57% | 99.17% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 86.97% | 95.12% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.72% | 92.94% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.55% | 93.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.40% | 91.11% |
| CHEMBL205 | P00918 | Carbonic anhydrase II | 85.15% | 98.44% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.02% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.81% | 94.45% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.46% | 91.07% |
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.
| Nelumbo nucifera |
| PubChem | 163045620 |
| LOTUS | LTS0075222 |
| wikiData | Q105324077 |