5-Methyl-2-propan-2-yl-11,12-dioxatricyclo[5.3.2.01,5]dodec-9-en-8-one
| Internal ID | d1e523c4-ca3c-4981-a166-a778560037c0 |
| Taxonomy | Organoheterocyclic compounds > Dioxanes > 1,2-dioxanes |
| IUPAC Name | 5-methyl-2-propan-2-yl-11,12-dioxatricyclo[5.3.2.01,5]dodec-9-en-8-one |
| SMILES (Canonical) | CC(C)C1CCC2(C13C=CC(=O)C(C2)OO3)C |
| SMILES (Isomeric) | CC(C)C1CCC2(C13C=CC(=O)C(C2)OO3)C |
| InChI | InChI=1S/C14H20O3/c1-9(2)10-4-6-13(3)8-12-11(15)5-7-14(10,13)17-16-12/h5,7,9-10,12H,4,6,8H2,1-3H3 |
| InChI Key | JDYMQVAYLNBUBW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H20O3 |
| Molecular Weight | 236.31 g/mol |
| Exact Mass | 236.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 5-Methyl-2-propan-2-yl-11,12-dioxatricyclo[5.3.2.01,5]dodec-9-en-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/5-methyl-2-propan-2-yl-1112-dioxatricyclo532015dodec-9-en-8-one.jpg "2D Structure of 5-Methyl-2-propan-2-yl-11,12-dioxatricyclo[5.3.2.01,5]dodec-9-en-8-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.68% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 93.89% | 96.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.98% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.96% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.38% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.96% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.60% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.51% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.32% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.29% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.29% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.73% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.98% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.10% | 95.89% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.09% | 93.04% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.91% | 92.88% |
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.
| Rosa rugosa |
| PubChem | 14829225 |
| LOTUS | LTS0239515 |
| wikiData | Q105125865 |