4,6-Diformyl-8-hydroxy-3-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carbonsaeure
| Internal ID | 19942bfe-dd2d-47af-87a8-918e8069925f |
| Taxonomy | Phenylpropanoids and polyketides > Depsides and depsidones |
| IUPAC Name | 1,10-diformyl-3-hydroxy-9-methoxy-4,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid |
| SMILES (Canonical) | CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3C)O)C(=O)O)C=O)C=O)OC |
| SMILES (Isomeric) | CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3C)O)C(=O)O)C=O)C=O)OC |
| InChI | InChI=1S/C19H14O9/c1-7-4-11(26-3)9(5-20)16-12(7)19(25)28-15-8(2)14(22)13(18(23)24)10(6-21)17(15)27-16/h4-6,22H,1-3H3,(H,23,24) |
| InChI Key | LRRJGRUEHSZJRI-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H14O9 |
| Molecular Weight | 386.30 g/mol |
| Exact Mass | 386.06378202 g/mol |
| Topological Polar Surface Area (TPSA) | 136.00 Ų |
| XlogP | 2.30 |
| 4,6-Diformyl-8-hydroxy-3-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carbonsaeure |
![2D Structure of 4,6-Diformyl-8-hydroxy-3-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carbonsaeure](https://plantaedb.com/storage/docs/compounds/2023/11/46-diformyl-8-hydroxy-3-methoxy-19-dimethyl-11-oxo-11h-dibenzobe14dioxepin-7-carbonsaeure.jpg "2D Structure of 4,6-Diformyl-8-hydroxy-3-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carbonsaeure")
| 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 | 98.58% | 95.56% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 97.72% | 98.11% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.03% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.32% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.28% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.56% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.40% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.18% | 96.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 87.09% | 94.42% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.70% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.25% | 94.00% |
| CHEMBL3194 | P02766 | Transthyretin | 84.05% | 90.71% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.03% | 90.20% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.00% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.61% | 99.17% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.17% | 82.38% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.50% | 98.75% |
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 | 16755902 |
| LOTUS | LTS0078143 |
| wikiData | Q77278418 |