4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-yl acetate
| Internal ID | 3b4679b5-bd28-4c86-9022-26731741087b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | (4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl) acetate |
| SMILES (Canonical) | CC1=CC(C2CC1C2(C)C)OC(=O)C |
| SMILES (Isomeric) | CC1=CC(C2CC1C2(C)C)OC(=O)C |
| InChI | InChI=1S/C12H18O2/c1-7-5-11(14-8(2)13)10-6-9(7)12(10,3)4/h5,9-11H,6H2,1-4H3 |
| InChI Key | OZBFUQLOVFXDNK-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C12H18O2 |
| Molecular Weight | 194.27 g/mol |
| Exact Mass | 194.130679813 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 2.10 |
| 33522-69-9 |
| EINECS 251-559-4 |
| trans-Verbenyl acetate |
| 4,6,6-Trimethylbicyclo(3.1.1.)hept-3-en-2-yl acetate |
| 4,6,6-trimethylbicyclo[3.1.1.]hept-3-en-2-yl acetate |
| Bicyclo[3.1.1]hept-2-en-4-ol, 2,6,6-trimethyl-, acetate |
| Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, acetate |
| Bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-, acetate |
| Verbenyl acetate |
| Verbenyl acetate (trans) |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of 4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-yl acetate](https://plantaedb.com/storage/docs/compounds/2023/07/466-trimethylbicyclo311hept-3-en-2-yl-acetate.jpg "2D Structure of 4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-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 | 96.58% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.28% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.36% | 97.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.67% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.47% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.72% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.40% | 96.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.28% | 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.
| Chrysanthemum indicum |