2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-[4-[4,5-dimethoxy-2-[(5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl]-2,3-dimethoxyphenyl]acetaldehyde
| Internal ID | b8eb0e07-e62b-448f-a7f9-e333f14d5a4e |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | 2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-[4-[4,5-dimethoxy-2-[(5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl]-2,3-dimethoxyphenyl]acetaldehyde |
| SMILES (Canonical) | CN1CCC2=C(C(=C(C=C2C1CC3=CC(=C(C=C3C4=C(C(=C(C=C4)C(=C5C6=CC(=C(C=C6CCN5)OC)OC)C=O)OC)OC)OC)OC)OC)OC)OC |
| SMILES (Isomeric) | CN1CCC2=C(C(=C(C=C2C1CC3=CC(=C(C=C3C4=C(C(=C(C=C4)C(=C5C6=CC(=C(C=C6CCN5)OC)OC)C=O)OC)OC)OC)OC)OC)OC)OC |
| InChI | InChI=1S/C43H50N2O10/c1-45-16-14-28-31(22-38(51-6)43(55-10)42(28)54-9)33(45)17-25-19-35(48-3)36(49-4)20-29(25)26-11-12-27(41(53-8)40(26)52-7)32(23-46)39-30-21-37(50-5)34(47-2)18-24(30)13-15-44-39/h11-12,18-23,33,44H,13-17H2,1-10H3 |
| InChI Key | FLLGTCPIQGAJQA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C43H50N2O10 |
| Molecular Weight | 754.90 g/mol |
| Exact Mass | 754.34654580 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of 2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-[4-[4,5-dimethoxy-2-[(5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl]-2,3-dimethoxyphenyl]acetaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/1cc48b10-859f-11ee-8869-5bffda59d61e.jpg "2D Structure of 2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-[4-[4,5-dimethoxy-2-[(5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl]-2,3-dimethoxyphenyl]acetaldehyde")
| 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 | 99.58% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.54% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.04% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.55% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.53% | 90.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.94% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.51% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.30% | 86.33% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 88.95% | 91.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.47% | 95.56% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 85.13% | 95.12% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.96% | 90.24% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.78% | 91.03% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.69% | 92.62% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.37% | 89.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.84% | 92.94% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 83.52% | 96.67% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.80% | 89.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.28% | 94.00% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 82.21% | 96.76% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.12% | 93.99% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.03% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.97% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.70% | 95.89% |
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.
| Isopyrum thalictroides |
| PubChem | 163047086 |
| LOTUS | LTS0206577 |
| wikiData | Q104997209 |