2,6-Dihydroxy-8-methoxy-4,4,7-trimethyl-1,2-dihydro-3-benzoxepin-5-one
| Internal ID | 7c30b5c7-c2a7-4ecf-a018-b624df0a31bf |
| Taxonomy | Organoheterocyclic compounds > Benzoxepines |
| IUPAC Name | 2,6-dihydroxy-8-methoxy-4,4,7-trimethyl-1,2-dihydro-3-benzoxepin-5-one |
| SMILES (Canonical) | CC1=C(C=C2CC(OC(C(=O)C2=C1O)(C)C)O)OC |
| SMILES (Isomeric) | CC1=C(C=C2CC(OC(C(=O)C2=C1O)(C)C)O)OC |
| InChI | InChI=1S/C14H18O5/c1-7-9(18-4)5-8-6-10(15)19-14(2,3)13(17)11(8)12(7)16/h5,10,15-16H,6H2,1-4H3 |
| InChI Key | SCLAEKRZYXVHQI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H18O5 |
| Molecular Weight | 266.29 g/mol |
| Exact Mass | 266.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
| 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 | 97.98% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.53% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.20% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.92% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.60% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.09% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.89% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.81% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.47% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.45% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.25% | 94.45% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 85.21% | 96.21% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.75% | 91.03% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.41% | 95.89% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.52% | 96.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.08% | 91.07% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.59% | 97.09% |
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.
| Delphinium formosum |
| PubChem | 101991098 |
| LOTUS | LTS0191967 |
| wikiData | Q105250250 |