[(1R,4S,5R,6S,7R,11S)-4,5-diacetyloxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] acetate
| Internal ID | 6580df2f-dc27-4e46-8230-29edd539ec4d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Iridoids and derivatives |
| IUPAC Name | [(1R,4S,5R,6S,7R,11S)-4,5-diacetyloxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H20O8/c1-7(16)21-12-10-4-5-19-14-11(10)15(6-20-14,23-9(3)18)13(12)22-8(2)17/h10-14H,4-6H2,1-3H3/t10-,11-,12+,13-,14-,15-/m1/s1 |
| InChI Key | HAFGKVOAGMMHTR-QAUDVVSPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H20O8 |
| Molecular Weight | 328.31 g/mol |
| Exact Mass | 328.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 97.40 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
![2D Structure of [(1R,4S,5R,6S,7R,11S)-4,5-diacetyloxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/1r4s5r6s7r11s-45-diacetyloxy-210-dioxatricyclo5310411undecan-6-yl-acetate.jpg "2D Structure of [(1R,4S,5R,6S,7R,11S)-4,5-diacetyloxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] acetate")
| 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 | 96.89% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.71% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.24% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.80% | 91.19% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.83% | 92.94% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.46% | 94.80% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.43% | 94.33% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 82.35% | 97.47% |
| CHEMBL5028 | O14672 | ADAM10 | 82.29% | 97.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.31% | 96.47% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.29% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.11% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.39% | 98.95% |
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.
| There are no matching plants. |
| PubChem | 14447015 |
| LOTUS | LTS0210297 |
| wikiData | Q105024834 |