(2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-[4-[[4,5-dimethoxy-2-[[(1S)-5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]methyl]-2,3-dimethoxyphenyl]acetaldehyde
| Internal ID | 5865b86b-7cdf-4212-8083-65a72c20fffa |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-[4-[[4,5-dimethoxy-2-[[(1S)-5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]methyl]-2,3-dimethoxyphenyl]acetaldehyde |
| SMILES (Canonical) | CN1CCC2=C(C(=C(C=C2C1CC3=CC(=C(C=C3CC4=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=C2[C@@H]1CC3=CC(=C(C=C3CC4=C(C(=C(C=C4)/C(=C/5\C6=CC(=C(C=C6CCN5)OC)OC)/C=O)OC)OC)OC)OC)OC)OC)OC |
| InChI | InChI=1S/C44H52N2O10/c1-46-16-14-30-32(23-39(52-6)44(56-10)43(30)55-9)34(46)18-28-21-37(50-4)36(49-3)20-27(28)17-26-11-12-29(42(54-8)41(26)53-7)33(24-47)40-31-22-38(51-5)35(48-2)19-25(31)13-15-45-40/h11-12,19-24,34,45H,13-18H2,1-10H3/b40-33+/t34-/m0/s1 |
| InChI Key | PMXIOUCPVGLKFT-IHQYELHMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C44H52N2O10 |
| Molecular Weight | 768.90 g/mol |
| Exact Mass | 768.36219586 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 6.80 |
| There are no found synonyms. |
![2D Structure of (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-[4-[[4,5-dimethoxy-2-[[(1S)-5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]methyl]-2,3-dimethoxyphenyl]acetaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/9b7ff020-8627-11ee-8306-2bff852b5bae.jpg "2D Structure of (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-[4-[[4,5-dimethoxy-2-[[(1S)-5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]methyl]-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 | 94.52% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.21% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.14% | 98.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.14% | 97.25% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.08% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.42% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.06% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.07% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.73% | 92.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 86.37% | 91.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.91% | 94.45% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.75% | 91.03% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.33% | 89.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.28% | 93.99% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 83.00% | 94.05% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.96% | 96.67% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.78% | 89.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.51% | 91.07% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.48% | 94.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.38% | 90.24% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.36% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.93% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.89% | 95.89% |
| CHEMBL228 | P31645 | Serotonin transporter | 80.50% | 95.51% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.19% | 96.77% |
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 | 163021595 |
| LOTUS | LTS0204788 |
| wikiData | Q105211802 |