6-(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6H-furo[3,4-g][1,3]benzodioxol-8-one
Internal ID | 4b93b047-12ed-487b-8176-d821c062a289 |
Taxonomy | Alkaloids and derivatives > Phthalide isoquinolines |
IUPAC Name | 6-(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6H-furo[3,4-g][1,3]benzodioxol-8-one |
SMILES (Canonical) | C1CNC(C2=CC3=C(C=C21)OCO3)C4C5=C(C6=C(C=C5)OCO6)C(=O)O4 |
SMILES (Isomeric) | C1CNC(C2=CC3=C(C=C21)OCO3)C4C5=C(C6=C(C=C5)OCO6)C(=O)O4 |
InChI | InChI=1S/C19H15NO6/c21-19-15-10(1-2-12-18(15)25-8-22-12)17(26-19)16-11-6-14-13(23-7-24-14)5-9(11)3-4-20-16/h1-2,5-6,16-17,20H,3-4,7-8H2 |
InChI Key | YIQVPNZGGSTDKI-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C19H15NO6 |
Molecular Weight | 353.30 g/mol |
Exact Mass | 353.08993720 g/mol |
Topological Polar Surface Area (TPSA) | 75.20 Ų |
XlogP | 2.10 |
There are no found synonyms. |
![2D Structure of 6-(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6H-furo[3,4-g][1,3]benzodioxol-8-one 2D Structure of 6-(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6H-furo[3,4-g][1,3]benzodioxol-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/6-5678-tetrahydro-13dioxolo45-gisoquinolin-5-yl-6h-furo34-g13benzodioxol-8-one.jpg)
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 | 97.70% | 94.45% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.49% | 96.77% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.10% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 93.97% | 98.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.55% | 95.56% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.54% | 93.40% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.97% | 91.11% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.84% | 94.80% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.83% | 93.99% |
CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 88.11% | 81.29% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.27% | 86.33% |
CHEMBL2535 | P11166 | Glucose transporter | 86.98% | 98.75% |
CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 86.34% | 82.67% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.27% | 89.00% |
CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 86.06% | 80.96% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.94% | 100.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.78% | 99.23% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.18% | 92.62% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 84.08% | 91.49% |
CHEMBL4530 | P00488 | Coagulation factor XIII | 83.70% | 96.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 83.70% | 94.73% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.54% | 95.89% |
CHEMBL2803 | P43403 | Tyrosine-protein kinase ZAP-70 | 81.01% | 82.50% |
CHEMBL3384 | Q16512 | Protein kinase N1 | 80.10% | 80.71% |
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 | 85114687 |
LOTUS | LTS0108068 |
wikiData | Q105348982 |