2,8-Dichloro-9-hydroxy-3-methoxy-4,7,10-trimethyl-6-oxobenzo[b][1,4]benzodioxepine-1-carbaldehyde
| Internal ID | 60e7b93d-788d-4de9-8e2d-294ca992e8b8 |
| Taxonomy | Phenylpropanoids and polyketides > Depsides and depsidones |
| IUPAC Name | 2,8-dichloro-9-hydroxy-3-methoxy-4,7,10-trimethyl-6-oxobenzo[b][1,4]benzodioxepine-1-carbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H14Cl2O6/c1-6-10-14(7(2)13(22)11(6)19)25-17-9(5-21)12(20)15(24-4)8(3)16(17)26-18(10)23/h5,22H,1-4H3 |
| InChI Key | LQJWIBZWOALGCL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H14Cl2O6 |
| Molecular Weight | 397.20 g/mol |
| Exact Mass | 396.0167436 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of 2,8-Dichloro-9-hydroxy-3-methoxy-4,7,10-trimethyl-6-oxobenzo[b][1,4]benzodioxepine-1-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/28-dichloro-9-hydroxy-3-methoxy-4710-trimethyl-6-oxobenzob14benzodioxepine-1-carbaldehyde.jpg "2D Structure of 2,8-Dichloro-9-hydroxy-3-methoxy-4,7,10-trimethyl-6-oxobenzo[b][1,4]benzodioxepine-1-carbaldehyde")
| 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 |
|---|---|---|---|---|
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 98.44% | 98.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.02% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.89% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.66% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.77% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.15% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.77% | 98.95% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.30% | 86.92% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.55% | 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.
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| There are no matching plants. |
| PubChem | 163047955 |
| LOTUS | LTS0071654 |
| wikiData | Q105155580 |