8'-Hydroxy-7'-methoxy-6-methylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,3'-isochromene]-1',4'-dione
| Internal ID | 6e9396ab-9e3d-41d2-b019-389e99db6eab |
| Taxonomy | Organoheterocyclic compounds > Tetrahydroisoquinolines |
| IUPAC Name | 8'-hydroxy-7'-methoxy-6-methylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,3'-isochromene]-1',4'-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H17NO7/c1-21-6-5-10-7-14-15(27-9-26-14)8-12(10)20(21)18(23)11-3-4-13(25-2)17(22)16(11)19(24)28-20/h3-4,7-8,22H,5-6,9H2,1-2H3 |
| InChI Key | ZGUBAVGIHNQCBV-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H17NO7 |
| Molecular Weight | 383.40 g/mol |
| Exact Mass | 383.10050188 g/mol |
| Topological Polar Surface Area (TPSA) | 94.50 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 8'-Hydroxy-7'-methoxy-6-methylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,3'-isochromene]-1',4'-dione](https://plantaedb.com/storage/docs/compounds/2023/11/c7a61010-83b2-11ee-a6db-6ddb641ec260.jpg "2D Structure of 8'-Hydroxy-7'-methoxy-6-methylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,3'-isochromene]-1',4'-dione")
| 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 | 98.88% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.75% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.61% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.77% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.10% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.85% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.91% | 94.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.35% | 96.77% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.35% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.71% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.52% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.13% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.63% | 92.62% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 83.55% | 97.50% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.20% | 82.38% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 83.18% | 91.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.89% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.35% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.16% | 90.71% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 81.65% | 90.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.22% | 91.49% |
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.
| Dactylicapnos torulosa |
| PubChem | 86176836 |
| LOTUS | LTS0085798 |
| wikiData | Q105375434 |