9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3H-benzo[f][1]benzofuran-2-one
| Internal ID | 9e927df9-73fc-4138-8eaa-8cf18eb2063a |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | 9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3H-benzo[f][1]benzofuran-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H16O7/c1-24-15-6-11-12(7-16(15)25-2)20(23)13-8-18(22)28-21(13)19(11)10-3-4-14-17(5-10)27-9-26-14/h3-7,23H,8-9H2,1-2H3 |
| InChI Key | AYSLPAFKUGZRTQ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H16O7 |
| Molecular Weight | 380.30 g/mol |
| Exact Mass | 380.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 83.50 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of 9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3H-benzo[f][1]benzofuran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/9-13-benzodioxol-5-yl-4-hydroxy-67-dimethoxy-3h-benzof1benzofuran-2-one.jpg "2D Structure of 9-(1,3-benzodioxol-5-yl)-4-hydroxy-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.09% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.23% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.52% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.95% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.63% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.55% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.15% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.77% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.12% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.95% | 96.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.42% | 94.80% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.00% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.00% | 98.75% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 84.94% | 95.53% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 83.95% | 82.67% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 83.80% | 85.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.42% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.24% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.01% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.15% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.34% | 99.15% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.12% | 92.38% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.08% | 96.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.93% | 92.94% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.87% | 95.78% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 80.75% | 90.95% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.16% | 93.31% |
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.
| Haplophyllum dauricum |
| PubChem | 162858598 |
| LOTUS | LTS0215612 |
| wikiData | Q104921359 |