2,4,7,9-Tetrachloro-3,8-dimethoxy-1,6-dimethyl-11H-dibenzo[b,E][1,4]dioxepin-11-one
| Internal ID | 8231ec59-190f-4ec0-979f-60c62a425550 |
| Taxonomy | Phenylpropanoids and polyketides > Depsides and depsidones |
| IUPAC Name | 2,4,8,10-tetrachloro-3,9-dimethoxy-1,7-dimethylbenzo[b][1,4]benzodioxepin-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H12Cl4O5/c1-5-7-13(10(20)14(23-3)8(5)18)25-12-6(2)9(19)15(24-4)11(21)16(12)26-17(7)22/h1-4H3 |
| InChI Key | PPFWMXVOIABRTP-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C17H12Cl4O5 |
| Molecular Weight | 438.10 g/mol |
| Exact Mass | 437.940934 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 6.10 |
| 19314-80-8 |
| 2,4,7,9-Tetrachloro-3,8-dimethoxy-1,6-dimethyl-11H-dibenzo[b,E][1,4]dioxepin-11-one |
| 2,4,8,10-tetrachloro-3,9-dimethoxy-1,7-dimethylbenzo[b][1,4]benzodioxepin-6-one |
| KBio2_007486 |
| Spectrum_001844 |
| SpecPlus_000655 |
| KBioSS_002353 |
| DivK1c_006751 |
| CHEMBL3039100 |
| KBio1_001695 |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of 2,4,7,9-Tetrachloro-3,8-dimethoxy-1,6-dimethyl-11H-dibenzo[b,E][1,4]dioxepin-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/2479-tetrachloro-38-dimethoxy-16-dimethyl-11h-dibenzobe14dioxepin-11-one.jpg "2D Structure of 2,4,7,9-Tetrachloro-3,8-dimethoxy-1,6-dimethyl-11H-dibenzo[b,E][1,4]dioxepin-11-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.56% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.49% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.38% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.80% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.79% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.68% | 86.33% |
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 | 634078 |
| LOTUS | LTS0078372 |
| wikiData | Q104401207 |