[4-Acetyloxy-3,7,9-trimethyl-6-(2-methylbut-2-enoyloxy)-11-oxo-3-tricyclo[5.4.0.02,8]undec-9-enyl]methyl 2-methylbut-2-enoate
| Internal ID | aa418e88-b7ac-4807-9dd6-225526e385e9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | [4-acetyloxy-3,7,9-trimethyl-6-(2-methylbut-2-enoyloxy)-11-oxo-3-tricyclo[5.4.0.02,8]undec-9-enyl]methyl 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OCC1(C(CC(C2(C3C1C2C(=O)C=C3C)C)OC(=O)C(=CC)C)OC(=O)C)C |
| SMILES (Isomeric) | CC=C(C)C(=O)OCC1(C(CC(C2(C3C1C2C(=O)C=C3C)C)OC(=O)C(=CC)C)OC(=O)C)C |
| InChI | InChI=1S/C27H36O7/c1-9-14(3)24(30)32-13-26(7)19(33-17(6)28)12-20(34-25(31)15(4)10-2)27(8)21-16(5)11-18(29)22(27)23(21)26/h9-11,19-23H,12-13H2,1-8H3 |
| InChI Key | SQAIKNSFKUIESW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H36O7 |
| Molecular Weight | 472.60 g/mol |
| Exact Mass | 472.24610348 g/mol |
| Topological Polar Surface Area (TPSA) | 96.00 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of [4-Acetyloxy-3,7,9-trimethyl-6-(2-methylbut-2-enoyloxy)-11-oxo-3-tricyclo[5.4.0.02,8]undec-9-enyl]methyl 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/359bd750-8650-11ee-b710-4bf825358d47.jpg "2D Structure of [4-Acetyloxy-3,7,9-trimethyl-6-(2-methylbut-2-enoyloxy)-11-oxo-3-tricyclo[5.4.0.02,8]undec-9-enyl]methyl 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 | 96.15% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.00% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.18% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.11% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.55% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.92% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.38% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.35% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.13% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.46% | 90.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.10% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.87% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.42% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.58% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.35% | 96.95% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.28% | 85.00% |
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 origanoides |
| PubChem | 163070487 |
| LOTUS | LTS0082075 |
| wikiData | Q105257730 |