1-((3,4-Dimethoxyphenyl)methoxymethyl)-6,7-dimethoxyisoquinoline
| Internal ID | 3bb46853-2c7b-4e3f-a33c-9dc66bcb7f3a |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | 1-[(3,4-dimethoxyphenyl)-methoxymethyl]-6,7-dimethoxyisoquinoline |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C(C2=NC=CC3=CC(=C(C=C32)OC)OC)OC)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C(C2=NC=CC3=CC(=C(C=C32)OC)OC)OC)OC |
| InChI | InChI=1S/C21H23NO5/c1-23-16-7-6-14(11-17(16)24-2)21(27-5)20-15-12-19(26-4)18(25-3)10-13(15)8-9-22-20/h6-12,21H,1-5H3 |
| InChI Key | MNBJQMJWRBOBEX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H23NO5 |
| Molecular Weight | 369.40 g/mol |
| Exact Mass | 369.15762283 g/mol |
| Topological Polar Surface Area (TPSA) | 59.00 Ų |
| XlogP | 3.40 |
| 180386-76-9 |
| 1-((3,4-Dimethoxyphenyl)methoxymethyl)-6,7-dimethoxyisoquinoline |
| DTXSID20939328 |
| 1-[(3,4-Dimethoxyphenyl)(methoxy)methyl]-6,7-dimethoxyisoquinoline |
| Isoquinoline, 1-((3,4-dimethoxyphenyl)methoxymethyl)-6,7-dimethoxy- |
| 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 |
|---|---|---|---|---|
| CHEMBL5747 | Q92793 | CREB-binding protein | 96.20% | 95.12% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 93.73% | 89.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.89% | 96.09% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 90.60% | 92.97% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 90.27% | 94.03% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.18% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.83% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.66% | 91.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.38% | 98.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.91% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.58% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.45% | 90.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.94% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.01% | 99.17% |
| CHEMBL290 | Q13370 | Phosphodiesterase 3B | 85.73% | 94.00% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 85.23% | 96.47% |
| CHEMBL5014 | O43353 | Serine/threonine-protein kinase RIPK2 | 85.01% | 86.79% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.93% | 93.31% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.59% | 85.14% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.80% | 93.65% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 82.58% | 85.49% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.91% | 90.20% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.68% | 96.67% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 80.10% | 92.38% |
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.
| Papaver somniferum subsp. setigerum |
| PubChem | 177351 |
| LOTUS | LTS0175252 |
| wikiData | Q82915796 |