(3,3,7,9-Tetramethyl-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl) 2-methylbut-2-enoate
| Internal ID | 3818ed17-f738-4624-90ed-1201b7d4af6f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | (3,3,7,9-tetramethyl-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl) 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1CCC2(C3C(C2C(=O)C=C3C)C1(C)C)C |
| SMILES (Isomeric) | CC=C(C)C(=O)OC1CCC2(C3C(C2C(=O)C=C3C)C1(C)C)C |
| InChI | InChI=1S/C20H28O3/c1-7-11(2)18(22)23-14-8-9-20(6)15-12(3)10-13(21)16(20)17(15)19(14,4)5/h7,10,14-17H,8-9H2,1-6H3 |
| InChI Key | XAVBAMQBZQMIJG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O3 |
| Molecular Weight | 316.40 g/mol |
| Exact Mass | 316.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of (3,3,7,9-Tetramethyl-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl) 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/3379-tetramethyl-11-oxo-4-tricyclo540028undec-9-enyl-2-methylbut-2-enoate.jpg "2D Structure of (3,3,7,9-Tetramethyl-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl) 2-methylbut-2-enoate")
| 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 | 92.56% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.10% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.87% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.97% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.13% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.72% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.28% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.73% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.13% | 99.23% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.06% | 93.04% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.72% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.82% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.86% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.41% | 86.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.41% | 93.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.64% | 96.43% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.16% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.13% | 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.
| Eupatorium hyssopifolium |
| Stevia pilosa |
| Stevia salicifolia |
| Stevia serrata |
| PubChem | 163018132 |
| LOTUS | LTS0179005 |
| wikiData | Q105220664 |