3-Acetoxy-2,2,6-trimethyl-6-vinyltetrahydropyran
| Internal ID | cc725a26-dcfd-4585-acb1-9b0d0b965e8d |
| Taxonomy | Organoheterocyclic compounds > Oxanes |
| IUPAC Name | (6-ethenyl-2,2,6-trimethyloxan-3-yl) acetate |
| SMILES (Canonical) | CC(=O)OC1CCC(OC1(C)C)(C)C=C |
| SMILES (Isomeric) | CC(=O)OC1CCC(OC1(C)C)(C)C=C |
| InChI | InChI=1S/C12H20O3/c1-6-12(5)8-7-10(14-9(2)13)11(3,4)15-12/h6,10H,1,7-8H2,2-5H3 |
| InChI Key | IRWLDXUJBJPFNV-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C12H20O3 |
| Molecular Weight | 212.28 g/mol |
| Exact Mass | 212.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 2.00 |
| 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, 3-acetate |
| 56752-50-2 |
| 56779-64-7 |
| Tetrahydro-2,2,6-trimethyl-6-vinyl-2H-pyran-3-yl acetate |
| 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, acetate |
| 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, acetate, trans- |
| 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, acetate, (3R,6R)-rel- |
| 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, acetate, (3R,6S)-rel- |
| 3-Acetoxy-2,2,6-trimethyl-6-vinyltetrahydropyran |
| 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, 3-acetate, (3R,6R)-rel- |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.05% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.71% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.73% | 91.19% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.47% | 83.82% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.77% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.66% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.59% | 94.45% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.32% | 89.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.92% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 81.49% | 97.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.73% | 92.62% |
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.
| Tanacetum vulgare |
| PubChem | 92524 |
| LOTUS | LTS0152991 |
| wikiData | Q82865796 |