[(1R,14R,16R,18R,19S,20S)-14-hexyl-19,20-dihydroxy-3-oxo-2,15,17-trioxabicyclo[14.4.0]icosan-18-yl]methyl acetate
| Internal ID | 45a4491c-f930-46f4-b478-b2873fba4b91 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | [(1R,14R,16R,18R,19S,20S)-14-hexyl-19,20-dihydroxy-3-oxo-2,15,17-trioxabicyclo[14.4.0]icosan-18-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H46O8/c1-3-4-5-12-15-20-16-13-10-8-6-7-9-11-14-17-22(28)34-25-24(30)23(29)21(18-31-19(2)27)33-26(25)32-20/h20-21,23-26,29-30H,3-18H2,1-2H3/t20-,21-,23-,24+,25-,26-/m1/s1 |
| InChI Key | RHINCMOOOOWDBZ-KLFQKHBESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H46O8 |
| Molecular Weight | 486.60 g/mol |
| Exact Mass | 486.31926842 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of [(1R,14R,16R,18R,19S,20S)-14-hexyl-19,20-dihydroxy-3-oxo-2,15,17-trioxabicyclo[14.4.0]icosan-18-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/495b9850-8637-11ee-bdaa-51260dca898e.jpg "2D Structure of [(1R,14R,16R,18R,19S,20S)-14-hexyl-19,20-dihydroxy-3-oxo-2,15,17-trioxabicyclo[14.4.0]icosan-18-yl]methyl 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 | 98.54% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.30% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.49% | 96.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 94.52% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.86% | 91.11% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 91.35% | 92.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.26% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.93% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.87% | 97.09% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 86.88% | 97.78% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.72% | 91.19% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.69% | 95.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.62% | 94.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.31% | 89.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.39% | 97.79% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 84.10% | 83.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.90% | 93.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.83% | 95.89% |
| CHEMBL1968 | P07099 | Epoxide hydrolase 1 | 83.68% | 98.57% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.60% | 92.68% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 82.95% | 80.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.92% | 94.73% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.84% | 93.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.46% | 91.81% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 80.72% | 90.24% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.47% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.29% | 96.38% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.16% | 96.77% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.12% | 93.04% |
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 | 101519838 |
| LOTUS | LTS0137213 |
| wikiData | Q105236404 |