[3,3,7,9-Tetramethyl-6-(2-methylbut-2-enoyloxy)-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl] 2,3-dimethyloxirane-2-carboxylate
| Internal ID | 1fc3a516-ce3e-47fe-b629-243d8d742f7f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | [3,3,7,9-tetramethyl-6-(2-methylbut-2-enoyloxy)-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl] 2,3-dimethyloxirane-2-carboxylate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1CC(C(C2C3C1(C2C(=O)C=C3C)C)(C)C)OC(=O)C4(C(O4)C)C |
| SMILES (Isomeric) | CC=C(C)C(=O)OC1CC(C(C2C3C1(C2C(=O)C=C3C)C)(C)C)OC(=O)C4(C(O4)C)C |
| InChI | InChI=1S/C25H34O6/c1-9-12(2)21(27)29-17-11-16(30-22(28)25(8)14(4)31-25)23(5,6)20-18-13(3)10-15(26)19(20)24(17,18)7/h9-10,14,16-20H,11H2,1-8H3 |
| InChI Key | QSQVERZQZXDZHI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H34O6 |
| Molecular Weight | 430.50 g/mol |
| Exact Mass | 430.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 82.20 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of [3,3,7,9-Tetramethyl-6-(2-methylbut-2-enoyloxy)-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl] 2,3-dimethyloxirane-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/49ae5680-8637-11ee-aabb-53551bc8d0d5.jpg "2D Structure of [3,3,7,9-Tetramethyl-6-(2-methylbut-2-enoyloxy)-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl] 2,3-dimethyloxirane-2-carboxylate")
| 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 | 96.31% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.52% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.44% | 89.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 92.00% | 97.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.59% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.55% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.15% | 98.95% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.81% | 91.07% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.65% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.14% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.17% | 97.09% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.10% | 85.30% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.77% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.71% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.42% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.30% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.21% | 96.09% |
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.
| Stevia salicifolia |
| PubChem | 73817885 |
| LOTUS | LTS0029202 |
| wikiData | Q105227241 |