7-Hydroxy-6-methoxy-1-(3,4-methylenedioxybenzyl) isoquinoline
| Internal ID | f345ad9c-7fb7-410f-a6ba-b28c7331efb0 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives |
| IUPAC Name | 1-(1,3-benzodioxol-5-ylmethyl)-6-methoxyisoquinolin-7-ol |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)C=CN=C2CC3=CC4=C(C=C3)OCO4)O |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)C=CN=C2CC3=CC4=C(C=C3)OCO4)O |
| InChI | InChI=1S/C18H15NO4/c1-21-17-8-12-4-5-19-14(13(12)9-15(17)20)6-11-2-3-16-18(7-11)23-10-22-16/h2-5,7-9,20H,6,10H2,1H3 |
| InChI Key | LIWOSCPZJOZTSN-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H15NO4 |
| Molecular Weight | 309.30 g/mol |
| Exact Mass | 309.10010796 g/mol |
| Topological Polar Surface Area (TPSA) | 60.80 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.06% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.68% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.98% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.44% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 95.15% | 92.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 94.13% | 95.50% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.65% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.61% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.53% | 85.14% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 92.62% | 95.12% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.47% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.37% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.48% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.85% | 99.15% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 88.67% | 95.39% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.53% | 98.95% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 86.69% | 93.10% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.98% | 94.80% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.66% | 90.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.27% | 89.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.24% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.77% | 96.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.30% | 90.24% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 82.22% | 96.69% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.10% | 94.73% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.04% | 82.67% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.73% | 95.78% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.43% | 89.00% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 80.72% | 90.95% |
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 arenarium |
| PubChem | 21763772 |
| LOTUS | LTS0150444 |
| wikiData | Q104396919 |