2,7,9-Trihydroxy-1-methoxy-8-(3-methylbut-2-enyl)benzo[b][1,4]benzodioxepin-6-one
| Internal ID | 4197bf01-3319-4da6-a997-3e51a4cb76b9 |
| Taxonomy | Phenylpropanoids and polyketides > Depsides and depsidones |
| IUPAC Name | 2,7,9-trihydroxy-1-methoxy-8-(3-methylbut-2-enyl)benzo[b][1,4]benzodioxepin-6-one |
| SMILES (Canonical) | CC(=CCC1=C(C2=C(C=C1O)OC3=C(C=CC(=C3OC)O)OC2=O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C2=C(C=C1O)OC3=C(C=CC(=C3OC)O)OC2=O)O)C |
| InChI | InChI=1S/C19H18O7/c1-9(2)4-5-10-12(21)8-14-15(16(10)22)19(23)26-13-7-6-11(20)17(24-3)18(13)25-14/h4,6-8,20-22H,5H2,1-3H3 |
| InChI Key | COQJJLIEGLZUBC-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H18O7 |
| Molecular Weight | 358.30 g/mol |
| Exact Mass | 358.10525291 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 2,7,9-Trihydroxy-1-methoxy-8-(3-methylbut-2-enyl)benzo[b][1,4]benzodioxepin-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/279-trihydroxy-1-methoxy-8-3-methylbut-2-enylbenzob14benzodioxepin-6-one.jpg "2D Structure of 2,7,9-Trihydroxy-1-methoxy-8-(3-methylbut-2-enyl)benzo[b][1,4]benzodioxepin-6-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 | 99.65% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.03% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.85% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.82% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.45% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.77% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.34% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.63% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.34% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.93% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.66% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.94% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.64% | 96.00% |
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.
| Garcinia buchananii |
| PubChem | 101911497 |
| LOTUS | LTS0181018 |
| wikiData | Q104967223 |