2-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline
| Internal ID | 92ed02c7-524b-4265-8274-e86acaaeba80 |
| Taxonomy | Organoheterocyclic compounds > Tetrahydroisoquinolines |
| IUPAC Name | 2-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H23NO4/c1-13-16-10-19(23-3)18(22-2)9-15(16)6-7-21(13)11-14-4-5-17-20(8-14)25-12-24-17/h4-5,8-10,13H,6-7,11-12H2,1-3H3 |
| InChI Key | BSDPQEFENGLTDD-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H23NO4 |
| Molecular Weight | 341.40 g/mol |
| Exact Mass | 341.16270821 g/mol |
| Topological Polar Surface Area (TPSA) | 40.20 Ų |
| XlogP | 3.40 |
| MLS001048918 |
| CHEMBL1300835 |
| CHEBI:114214 |
| HMS2269J17 |
| AKOS032435201 |
| SMR000387109 |
| Q27195478 |
| 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 | 98.47% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.56% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.84% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.61% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.92% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.66% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.19% | 86.33% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 92.73% | 91.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.92% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.55% | 93.99% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.24% | 92.62% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 90.19% | 97.31% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.41% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.00% | 97.25% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.60% | 95.89% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 88.17% | 82.67% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 85.84% | 90.95% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 85.80% | 96.76% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.11% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.97% | 94.00% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 83.68% | 96.69% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.32% | 99.17% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.08% | 89.50% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.21% | 97.50% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.85% | 95.78% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.83% | 95.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.10% | 92.94% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 80.09% | 95.12% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.07% | 94.80% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.01% | 90.00% |
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 nummularia |
| PubChem | 16195645 |
| LOTUS | LTS0186137 |
| wikiData | Q27195478 |