8,8,13,17-Tetramethyl-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-triene-6,16-dione
| Internal ID | 425c61d8-3a8b-43ad-b8ab-009292db3570 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Alpha,beta-unsaturated carboxylic esters > Enoate esters |
| IUPAC Name | 8,8,13,17-tetramethyl-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-triene-6,16-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H28O3/c1-20(2)16-6-7-17-15(13-14(16)5-8-19(24)25-20)9-11-22(4)18(23)10-12-21(17,22)3/h5,8,13,16H,6-7,9-12H2,1-4H3 |
| InChI Key | FVZNRLLUBWYIGZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28O3 |
| Molecular Weight | 340.50 g/mol |
| Exact Mass | 340.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of 8,8,13,17-Tetramethyl-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-triene-6,16-dione](https://plantaedb.com/storage/docs/compounds/2023/11/881317-tetramethyl-7-oxatetracyclo107003901317nonadeca-11224-triene-616-dione.jpg "2D Structure of 8,8,13,17-Tetramethyl-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-triene-6,16-dione")
| 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 | 98.00% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.85% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.20% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.92% | 97.09% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 85.87% | 92.97% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 85.33% | 91.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.56% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.50% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.34% | 97.25% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.17% | 93.40% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.15% | 93.04% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 80.61% | 80.96% |
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 | 163010570 |
| LOTUS | LTS0082137 |
| wikiData | Q104166835 |