4-(3,4-dimethoxyphenyl)-8H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
| Internal ID | ebd45d5c-0a92-4ff0-a667-7ce3620a7cc1 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans > Furanonaphthodioxoles |
| IUPAC Name | 4-(3,4-dimethoxyphenyl)-8H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C2=C3C(=CC4=CC5=C(C=C42)C(=O)OC5)OCO3)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C2=C3C(=CC4=CC5=C(C=C42)C(=O)OC5)OCO3)OC |
| InChI | InChI=1S/C21H16O6/c1-23-16-4-3-11(6-17(16)24-2)19-14-8-15-13(9-25-21(15)22)5-12(14)7-18-20(19)27-10-26-18/h3-8H,9-10H2,1-2H3 |
| InChI Key | BQPUGGCSGFPVKS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H16O6 |
| Molecular Weight | 364.30 g/mol |
| Exact Mass | 364.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of 4-(3,4-dimethoxyphenyl)-8H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/4-34-dimethoxyphenyl-8h-2benzofuro56-f13benzodioxol-6-one.jpg "2D Structure of 4-(3,4-dimethoxyphenyl)-8H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.79% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.70% | 98.95% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 95.26% | 96.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.23% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.18% | 94.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.70% | 89.63% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.91% | 95.56% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 92.16% | 92.38% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.90% | 85.14% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 91.32% | 82.67% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.92% | 92.62% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 90.58% | 95.12% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.88% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.60% | 98.75% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 88.67% | 98.21% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 88.60% | 96.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.71% | 93.31% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 86.15% | 92.98% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 86.10% | 85.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.47% | 95.89% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 84.98% | 95.53% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.91% | 91.11% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.83% | 95.78% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.66% | 96.67% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.44% | 91.49% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.65% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.94% | 99.23% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.94% | 96.09% |
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.
| Polygala chinensis |
| PubChem | 163093282 |
| LOTUS | LTS0211900 |
| wikiData | Q104944503 |