[(1R,14R,16R,18R,19R,20S)-20-acetyloxy-14-hexyl-18-(hydroxymethyl)-3-oxo-2,15,17-trioxabicyclo[14.4.0]icosan-19-yl] acetate
| Internal ID | 0998e966-8fcb-4ab0-99d7-4f0dd31cbe0b |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | [(1R,14R,16R,18R,19R,20S)-20-acetyloxy-14-hexyl-18-(hydroxymethyl)-3-oxo-2,15,17-trioxabicyclo[14.4.0]icosan-19-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H48O9/c1-4-5-6-13-16-22-17-14-11-9-7-8-10-12-15-18-24(32)37-27-26(34-21(3)31)25(33-20(2)30)23(19-29)36-28(27)35-22/h22-23,25-29H,4-19H2,1-3H3/t22-,23-,25-,26+,27-,28-/m1/s1 |
| InChI Key | GOTHVRSRCSXYGK-PUMRMUNQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H48O9 |
| Molecular Weight | 528.70 g/mol |
| Exact Mass | 528.32983310 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of [(1R,14R,16R,18R,19R,20S)-20-acetyloxy-14-hexyl-18-(hydroxymethyl)-3-oxo-2,15,17-trioxabicyclo[14.4.0]icosan-19-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/33d30650-8588-11ee-af85-b16dc372d7ac.jpg "2D Structure of [(1R,14R,16R,18R,19R,20S)-20-acetyloxy-14-hexyl-18-(hydroxymethyl)-3-oxo-2,15,17-trioxabicyclo[14.4.0]icosan-19-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.38% | 98.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 95.49% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.09% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.08% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 93.59% | 97.79% |
| CHEMBL4072 | P07858 | Cathepsin B | 93.24% | 93.67% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.66% | 92.62% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 90.78% | 92.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.49% | 95.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.39% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.18% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.95% | 91.19% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.19% | 91.81% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.43% | 97.09% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.34% | 94.33% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.03% | 97.29% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 83.97% | 83.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.43% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.27% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.11% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.88% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.94% | 93.00% |
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.
| Silene gallica |
| PubChem | 101519833 |
| LOTUS | LTS0131277 |
| wikiData | Q105014558 |