2-[1-(1,3-Benzodioxol-5-ylmethyl)-6-methoxyisoquinolin-7-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 797c6c45-0097-4d9a-b026-5d3591b2ca88 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 2-[1-(1,3-benzodioxol-5-ylmethyl)-6-methoxyisoquinolin-7-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)C=CN=C2CC3=CC4=C(C=C3)OCO4)OC5C(C(C(C(O5)CO)O)O)O |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)C=CN=C2CC3=CC4=C(C=C3)OCO4)OC5C(C(C(C(O5)CO)O)O)O |
| InChI | InChI=1S/C24H25NO9/c1-30-17-8-13-4-5-25-15(6-12-2-3-16-18(7-12)32-11-31-16)14(13)9-19(17)33-24-23(29)22(28)21(27)20(10-26)34-24/h2-5,7-9,20-24,26-29H,6,10-11H2,1H3 |
| InChI Key | ODWMVIKLQPNDOE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H25NO9 |
| Molecular Weight | 471.50 g/mol |
| Exact Mass | 471.15293138 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of 2-[1-(1,3-Benzodioxol-5-ylmethyl)-6-methoxyisoquinolin-7-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-1-13-benzodioxol-5-ylmethyl-6-methoxyisoquinolin-7-yloxy-6-hydroxymethyloxane-345-triol.jpg "2D Structure of 2-[1-(1,3-Benzodioxol-5-ylmethyl)-6-methoxyisoquinolin-7-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol")
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.84% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.43% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.03% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 96.01% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.80% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.45% | 85.14% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 93.74% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.47% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.37% | 99.17% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 92.21% | 95.12% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.88% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.08% | 98.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.27% | 94.80% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.21% | 89.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.08% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.74% | 92.94% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 88.16% | 95.83% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.93% | 96.00% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 86.97% | 90.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.92% | 89.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.65% | 95.78% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.19% | 98.75% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 86.18% | 92.38% |
| CHEMBL1741221 | Q9Y4P1 | Cysteine protease ATG4B | 85.89% | 87.50% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.67% | 91.49% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 84.68% | 96.69% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 83.15% | 82.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.72% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.61% | 97.09% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 81.24% | 94.03% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 81.21% | 85.49% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.73% | 90.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.60% | 93.10% |
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 | 162930349 |
| LOTUS | LTS0249126 |
| wikiData | Q105190074 |