6-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6H-furo[3,4-g][1,3]benzodioxol-8-one
| Internal ID | eece0c80-39dd-4a7d-a342-519ffc073158 |
| Taxonomy | Alkaloids and derivatives > Phthalide isoquinolines |
| IUPAC Name | 6-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6H-furo[3,4-g][1,3]benzodioxol-8-one |
| SMILES (Canonical) | COC1=C(C=C2C(NCCC2=C1)C3C4=C(C5=C(C=C4)OCO5)C(=O)O3)OC |
| SMILES (Isomeric) | COC1=C(C=C2C(NCCC2=C1)C3C4=C(C5=C(C=C4)OCO5)C(=O)O3)OC |
| InChI | InChI=1S/C20H19NO6/c1-23-14-7-10-5-6-21-17(12(10)8-15(14)24-2)18-11-3-4-13-19(26-9-25-13)16(11)20(22)27-18/h3-4,7-8,17-18,21H,5-6,9H2,1-2H3 |
| InChI Key | UFZHGELLRRECQI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H19NO6 |
| Molecular Weight | 369.40 g/mol |
| Exact Mass | 369.12123733 g/mol |
| Topological Polar Surface Area (TPSA) | 75.20 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 6-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6H-furo[3,4-g][1,3]benzodioxol-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/6-67-dimethoxy-1234-tetrahydroisoquinolin-1-yl-6h-furo34-g13benzodioxol-8-one.jpg "2D Structure of 6-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6H-furo[3,4-g][1,3]benzodioxol-8-one")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.60% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.61% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.16% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.86% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.90% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.75% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.46% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.43% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.15% | 97.09% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 90.91% | 82.67% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.43% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.85% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.76% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.33% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.02% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.63% | 94.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.33% | 94.80% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.21% | 89.00% |
| CHEMBL2803 | P43403 | Tyrosine-protein kinase ZAP-70 | 83.00% | 82.50% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 82.75% | 95.55% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.56% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.21% | 93.40% |
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.
| Corydalis paniculigera |
| PubChem | 13894385 |
| LOTUS | LTS0183350 |
| wikiData | Q105272214 |