2-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
| Internal ID | a87bb01a-2086-4599-965f-34e3fca50b08 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | 2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline |
| SMILES (Canonical) | COC1=C(C=C(C=C1)CN2CCC3=CC(=C(C=C3C2)OC)OC)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)CN2CCC3=CC(=C(C=C3C2)OC)OC)OC |
| InChI | InChI=1S/C20H25NO4/c1-22-17-6-5-14(9-18(17)23-2)12-21-8-7-15-10-19(24-3)20(25-4)11-16(15)13-21/h5-6,9-11H,7-8,12-13H2,1-4H3 |
| InChI Key | YDCQKNFVLHDJKY-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H25NO4 |
| Molecular Weight | 343.40 g/mol |
| Exact Mass | 343.17835828 g/mol |
| Topological Polar Surface Area (TPSA) | 40.20 Ų |
| XlogP | 3.20 |
| 2-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline |
| 2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline |
| Cambridge id 5267942 |
| Oprea1_779165 |
| CHEMBL2442087 |
| AB00078162-01 |
| SR-01000202405 |
| SR-01000202405-1 |
| 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 | 98.61% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.79% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.49% | 95.89% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 92.23% | 95.12% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.10% | 93.40% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.91% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.62% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.53% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.25% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.68% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.59% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.57% | 95.89% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 83.84% | 96.25% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 83.66% | 90.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.80% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.84% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.35% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.27% | 98.75% |
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 integerrima |
| PubChem | 1377255 |
| LOTUS | LTS0176061 |
| wikiData | Q105346656 |