(4,11,11-Trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl) acetate
| Internal ID | e5d72600-4f2b-4a40-bd68-7f9cca4a7256 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (4,11,11-trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl) acetate |
| SMILES (Canonical) | CC1=CCCC(=C)C2CC(C2C(C1=O)OC(=O)C)(C)C |
| SMILES (Isomeric) | CC1=CCCC(=C)C2CC(C2C(C1=O)OC(=O)C)(C)C |
| InChI | InChI=1S/C17H24O3/c1-10-7-6-8-11(2)15(19)16(20-12(3)18)14-13(10)9-17(14,4)5/h8,13-14,16H,1,6-7,9H2,2-5H3 |
| InChI Key | SXWKLEULMBLXJM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H24O3 |
| Molecular Weight | 276.40 g/mol |
| Exact Mass | 276.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (4,11,11-Trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/41111-trimethyl-8-methylidene-3-oxo-2-bicyclo720undec-4-enyl-acetate.jpg "2D Structure of (4,11,11-Trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl) 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.62% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.92% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.37% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.37% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.94% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.29% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.36% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.01% | 91.19% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.94% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.84% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.91% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.59% | 94.75% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 82.51% | 94.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.19% | 97.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.21% | 92.50% |
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.
| Buddleja davidii |
| PubChem | 432739 |
| LOTUS | LTS0069247 |
| wikiData | Q105263371 |