3,4-Dihydro-8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-2H,11H-1-benzopyrano(6,7-b)(1,4)benzodioxepin-7-carboxaldehyde
| Internal ID | 192eeac9-1932-45b7-a8b4-085ef36e467f |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | 8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-3H-chromeno[6,7-b][1,4]benzodioxepine-7-carbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H18O8/c1-8-5-11(23)10(7-22)17-13(8)20(26)28-19-15(25)18-14(9(2)16(19)27-17)12(24)6-21(3,4)29-18/h5,7,23,25H,6H2,1-4H3 |
| InChI Key | FMZRBSGCMFABIX-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H18O8 |
| Molecular Weight | 398.40 g/mol |
| Exact Mass | 398.10016753 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 3.00 |
| UNII-0U2A24WM0U |
| 0U2A24WM0U |
| 1179374-69-6 |
| CHEBI:68727 |
| 2H,11H-1-Benzopyrano(6,7-b)(1,4)benzodioxepin-7-carboxaldehyde, 3,4-dihydro-8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo- |
| 2H,11H-1-Benzopyrano[6,7-b][1,4]benzodioxepin-7-carboxaldehyde, 3,4-dihydro-8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo- |
| CHEMBL1080425 |
| DTXSID101104832 |
| Q27137147 |
| 3,4-Dihydro-8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-2H,11H-1-benzopyrano[6,7-b][1,4]benzodioxepin-7-carboxaldehyde |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 99.03% | 91.11% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 98.48% | 98.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.30% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.25% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.60% | 89.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 91.44% | 96.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.37% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.05% | 93.40% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.25% | 94.73% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.25% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.16% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.63% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.61% | 93.03% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 83.32% | 95.70% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.40% | 99.15% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.23% | 90.24% |
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 | 44254336 |
| LOTUS | LTS0201412 |
| wikiData | Q27137147 |