1-[1,3-Benzodioxol-5-yl(methoxy)methyl]-6,7-dimethoxyisoquinoline
| Internal ID | 7c634842-316c-4663-a5ae-ff534633f432 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives |
| IUPAC Name | 1-[1,3-benzodioxol-5-yl(methoxy)methyl]-6,7-dimethoxyisoquinoline |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)C=CN=C2C(C3=CC4=C(C=C3)OCO4)OC)OC |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)C=CN=C2C(C3=CC4=C(C=C3)OCO4)OC)OC |
| InChI | InChI=1S/C20H19NO5/c1-22-16-8-12-6-7-21-19(14(12)10-17(16)23-2)20(24-3)13-4-5-15-18(9-13)26-11-25-15/h4-10,20H,11H2,1-3H3 |
| InChI Key | UZTFBGXIIOSHFC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H19NO5 |
| Molecular Weight | 353.40 g/mol |
| Exact Mass | 353.12632271 g/mol |
| Topological Polar Surface Area (TPSA) | 59.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of 1-[1,3-Benzodioxol-5-yl(methoxy)methyl]-6,7-dimethoxyisoquinoline](https://plantaedb.com/storage/docs/compounds/2023/11/1-13-benzodioxol-5-ylmethoxymethyl-67-dimethoxyisoquinoline.jpg "2D Structure of 1-[1,3-Benzodioxol-5-yl(methoxy)methyl]-6,7-dimethoxyisoquinoline")
| 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 |
|---|---|---|---|---|
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 96.04% | 94.80% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 95.19% | 95.12% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 95.02% | 85.30% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.29% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.20% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.16% | 91.11% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 94.12% | 89.62% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 92.87% | 92.51% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.04% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.53% | 94.00% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 91.09% | 80.96% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.02% | 92.62% |
| CHEMBL5014 | O43353 | Serine/threonine-protein kinase RIPK2 | 90.69% | 86.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.22% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.15% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.49% | 96.09% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 89.35% | 82.67% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 89.11% | 94.03% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.41% | 91.49% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 88.06% | 100.00% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 87.98% | 92.97% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.98% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.25% | 98.75% |
| CHEMBL5543 | Q9Y463 | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 87.22% | 94.70% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 86.40% | 85.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.97% | 99.17% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 84.01% | 93.10% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.46% | 98.95% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 83.14% | 89.44% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 82.31% | 95.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.50% | 89.00% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 81.03% | 90.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.75% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.36% | 94.73% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 80.16% | 93.24% |
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 | 163095194 |
| LOTUS | LTS0029193 |
| wikiData | Q105282452 |