9-(1,3-benzodioxol-4-yl)-4,5,6,7-tetramethoxy-3H-benzo[f][2]benzofuran-1-one
| Internal ID | baf0a1bb-37d0-4eb4-99c0-4adc50e30723 |
| Taxonomy | Lignans, neolignans and related compounds > Arylnaphthalene lignans |
| IUPAC Name | 9-(1,3-benzodioxol-4-yl)-4,5,6,7-tetramethoxy-3H-benzo[f][2]benzofuran-1-one |
| SMILES (Canonical) | COC1=C(C(=C2C(=C1)C(=C3C(=C2OC)COC3=O)C4=C5C(=CC=C4)OCO5)OC)OC |
| SMILES (Isomeric) | COC1=C(C(=C2C(=C1)C(=C3C(=C2OC)COC3=O)C4=C5C(=CC=C4)OCO5)OC)OC |
| InChI | InChI=1S/C23H20O8/c1-25-15-8-12-16(11-6-5-7-14-19(11)31-10-30-14)17-13(9-29-23(17)24)20(26-2)18(12)22(28-4)21(15)27-3/h5-8H,9-10H2,1-4H3 |
| InChI Key | GGTZHSHHPAQZRU-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H20O8 |
| Molecular Weight | 424.40 g/mol |
| Exact Mass | 424.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 81.70 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of 9-(1,3-benzodioxol-4-yl)-4,5,6,7-tetramethoxy-3H-benzo[f][2]benzofuran-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/9-13-benzodioxol-4-yl-4567-tetramethoxy-3h-benzof2benzofuran-1-one.jpg "2D Structure of 9-(1,3-benzodioxol-4-yl)-4,5,6,7-tetramethoxy-3H-benzo[f][2]benzofuran-1-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 | 98.06% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.49% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.03% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.63% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 95.58% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.92% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.50% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.43% | 89.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 89.22% | 93.31% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 89.00% | 82.67% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.67% | 92.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.31% | 96.09% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 87.84% | 94.03% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 86.24% | 92.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.98% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.87% | 91.49% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.99% | 94.80% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 83.94% | 80.78% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.80% | 97.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.13% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.33% | 99.23% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.10% | 96.67% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.47% | 100.00% |
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.
| Protium unifoliolatum |
| PubChem | 163104115 |
| LOTUS | LTS0226016 |
| wikiData | Q105008323 |