8-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3H-benzo[f][1]benzofuran-2-one
| Internal ID | e5cf74d4-725b-45e7-b527-4895234fbc19 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | 8-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3H-benzo[f][1]benzofuran-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H16O6/c1-23-18-7-12-5-13-8-19(22)27-16(13)9-14(12)20(21(18)24-2)11-3-4-15-17(6-11)26-10-25-15/h3-7,9H,8,10H2,1-2H3 |
| InChI Key | GUORAUUXMBLFCZ-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 8-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3H-benzo[f][1]benzofuran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/8-13-benzodioxol-5-yl-67-dimethoxy-3h-benzof1benzofuran-2-one.jpg "2D Structure of 8-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3H-benzo[f][1]benzofuran-2-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 | 98.58% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.13% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.30% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.40% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.30% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.46% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 93.35% | 92.62% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 93.23% | 94.80% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.31% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.38% | 95.56% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 88.35% | 94.03% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.09% | 93.31% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.49% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.54% | 99.23% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 85.77% | 92.38% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 85.11% | 80.96% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.09% | 95.78% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 84.93% | 95.53% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.02% | 99.17% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 83.62% | 85.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 83.54% | 92.98% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.88% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.58% | 96.09% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.57% | 85.30% |
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.
| There are no matching plants. |
| PubChem | 163023302 |
| LOTUS | LTS0122249 |
| wikiData | Q105020330 |