[(1S,2R,4R,5R,7S,10S,11R)-5-acetyloxy-11-hydroxy-4,6,6,10-tetramethyl-2-tricyclo[5.3.1.04,11]undecanyl] (Z)-2-methylbut-2-enoate
| Internal ID | 7d4b1728-f414-4dec-b1f8-f1843002ba64 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [(1S,2R,4R,5R,7S,10S,11R)-5-acetyloxy-11-hydroxy-4,6,6,10-tetramethyl-2-tricyclo[5.3.1.04,11]undecanyl] (Z)-2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1CC2(C(C(C3C2(C1C(CC3)C)O)(C)C)OC(=O)C)C |
| SMILES (Isomeric) | C/C=C(/C)\C(=O)O[C@@H]1C[C@@]2([C@@H](C([C@H]3[C@]2([C@H]1[C@H](CC3)C)O)(C)C)OC(=O)C)C |
| InChI | InChI=1S/C22H34O5/c1-8-12(2)18(24)27-15-11-21(7)19(26-14(4)23)20(5,6)16-10-9-13(3)17(15)22(16,21)25/h8,13,15-17,19,25H,9-11H2,1-7H3/b12-8-/t13-,15+,16-,17-,19+,21+,22+/m0/s1 |
| InChI Key | RQOGLNHVGRLXMB-YVLOHUHOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H34O5 |
| Molecular Weight | 378.50 g/mol |
| Exact Mass | 378.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of [(1S,2R,4R,5R,7S,10S,11R)-5-acetyloxy-11-hydroxy-4,6,6,10-tetramethyl-2-tricyclo[5.3.1.04,11]undecanyl] (Z)-2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/848bb170-86f3-11ee-8064-17120b5f2934.jpg "2D Structure of [(1S,2R,4R,5R,7S,10S,11R)-5-acetyloxy-11-hydroxy-4,6,6,10-tetramethyl-2-tricyclo[5.3.1.04,11]undecanyl] (Z)-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 | 94.31% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.31% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.30% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.18% | 91.19% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.76% | 92.94% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.56% | 96.77% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 82.12% | 97.53% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.03% | 93.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.97% | 86.33% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.95% | 95.71% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.83% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.80% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.71% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.57% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.54% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.38% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.14% | 97.25% |
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.
| Packera tampicana |
| PubChem | 162896331 |
| LOTUS | LTS0173711 |
| wikiData | Q105243459 |