(2,6,10,10-Tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-3-yl) acetate
| Internal ID | bcfb1637-2ce3-4cf2-8615-3432fceebc07 |
| Taxonomy | Organoheterocyclic compounds > Tetrahydrofurans |
| IUPAC Name | (2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-3-yl) acetate |
| SMILES (Canonical) | CC1CCC2CC3(C1CC(C3C)OC(=O)C)OC2(C)C |
| SMILES (Isomeric) | CC1CCC2CC3(C1CC(C3C)OC(=O)C)OC2(C)C |
| InChI | InChI=1S/C17H28O3/c1-10-6-7-13-9-17(20-16(13,4)5)11(2)15(8-14(10)17)19-12(3)18/h10-11,13-15H,6-9H2,1-5H3 |
| InChI Key | WNFIZKASLLDALW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H28O3 |
| Molecular Weight | 280.40 g/mol |
| Exact Mass | 280.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (2,6,10,10-Tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-3-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/261010-tetramethyl-11-oxatricyclo721015dodecan-3-yl-acetate.jpg "2D Structure of (2,6,10,10-Tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-3-yl) acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.65% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.27% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.16% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.82% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.38% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.38% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.42% | 99.23% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.39% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.62% | 97.25% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.51% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.50% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.43% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.34% | 94.80% |
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.
| Pulicaria paludosa |
| PubChem | 14396706 |
| LOTUS | LTS0255053 |
| wikiData | Q105309036 |