Isoquinolinium, 5,6,7-trimethoxy-1-((4-methoxyphenyl)methyl)-2-methyl-
| Internal ID | f15ec07e-2fc8-4364-9e2f-1f584b77a9cf |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | 5,6,7-trimethoxy-1-[(4-methoxyphenyl)methyl]-2-methylisoquinolin-2-ium |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H24NO4/c1-22-11-10-16-17(13-19(24-3)21(26-5)20(16)25-4)18(22)12-14-6-8-15(23-2)9-7-14/h6-11,13H,12H2,1-5H3/q+1 |
| InChI Key | QEYACURRVKYESS-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H24NO4+ |
| Molecular Weight | 354.40 g/mol |
| Exact Mass | 354.17053325 g/mol |
| Topological Polar Surface Area (TPSA) | 40.80 Ų |
| XlogP | 4.10 |
| 6882-14-0 |
| Isoquinolinium, 5,6,7-trimethoxy-1-((4-methoxyphenyl)methyl)-2-methyl- |
| 5,6,7-trimethoxy-1-[(4-methoxyphenyl)methyl]-2-methylisoquinolin-2-ium |
| CHEMBL1183679 |
| DTXSID40218925 |
| 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 | 95.13% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.73% | 91.11% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.91% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.25% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.66% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.62% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.84% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.52% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.41% | 86.33% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 85.09% | 95.39% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.93% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.85% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.38% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.29% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.57% | 96.00% |
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.
| Thalictrum minus |
| PubChem | 199655 |
| LOTUS | LTS0043738 |
| wikiData | Q83095841 |