[(1R,2R,3R,5R,7S,8R)-2,6,6,9-tetramethyl-5-(2-methylprop-2-enoyloxy)-11-oxo-3-tricyclo[5.4.0.02,8]undec-9-enyl] 2-methylpropanoate
| Internal ID | bfc2afd1-4a2c-41d3-acca-03ba9ba81a97 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | [(1R,2R,3R,5R,7S,8R)-2,6,6,9-tetramethyl-5-(2-methylprop-2-enoyloxy)-11-oxo-3-tricyclo[5.4.0.02,8]undec-9-enyl] 2-methylpropanoate |
| SMILES (Canonical) | CC1=CC(=O)C2C3C1C2(C(CC(C3(C)C)OC(=O)C(=C)C)OC(=O)C(C)C)C |
| SMILES (Isomeric) | CC1=CC(=O)[C@@H]2[C@@H]3[C@H]1[C@]2([C@@H](C[C@H](C3(C)C)OC(=O)C(=C)C)OC(=O)C(C)C)C |
| InChI | InChI=1S/C23H32O5/c1-11(2)20(25)27-15-10-16(28-21(26)12(3)4)23(8)17-13(5)9-14(24)18(23)19(17)22(15,6)7/h9,12,15-19H,1,10H2,2-8H3/t15-,16-,17+,18-,19+,23-/m1/s1 |
| InChI Key | ZHLWRBQVALREFH-LRNVBIGQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H32O5 |
| Molecular Weight | 388.50 g/mol |
| Exact Mass | 388.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of [(1R,2R,3R,5R,7S,8R)-2,6,6,9-tetramethyl-5-(2-methylprop-2-enoyloxy)-11-oxo-3-tricyclo[5.4.0.02,8]undec-9-enyl] 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/c7e822e0-8660-11ee-bf68-35577b2031e9.jpg "2D Structure of [(1R,2R,3R,5R,7S,8R)-2,6,6,9-tetramethyl-5-(2-methylprop-2-enoyloxy)-11-oxo-3-tricyclo[5.4.0.02,8]undec-9-enyl] 2-methylpropanoate")
| 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 | 96.18% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.18% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.97% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.75% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.99% | 95.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.73% | 97.21% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.03% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.99% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.22% | 96.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.82% | 99.23% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.08% | 85.30% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.90% | 86.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.72% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.50% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.23% | 90.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.34% | 91.07% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.18% | 96.47% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.19% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.17% | 82.69% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 80.15% | 92.95% |
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 | 162943991 |
| LOTUS | LTS0085961 |
| wikiData | Q105375839 |