[(2R,3S,4S,5R)-2-[(3R,4S,5S,6S)-6-docosoxy-4,5-dihydroxyoxan-3-yl]oxy-3-hydroxy-5-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl] acetate
| Internal ID | c2126100-7406-497a-a85c-8df14f49a9dd |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | [(2R,3S,4S,5R)-2-[(3R,4S,5S,6S)-6-docosoxy-4,5-dihydroxyoxan-3-yl]oxy-3-hydroxy-5-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C39H72O14/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-47-37-34(45)32(43)29(25-49-37)52-39-35(46)36(51-27(2)40)30(26-50-39)53-38-33(44)31(42)28(41)24-48-38/h28-39,41-46H,3-26H2,1-2H3/t28-,29-,30-,31-,32-,33+,34+,35+,36-,37+,38-,39-/m1/s1 |
| InChI Key | IXDAJTSZNPIIOX-KGVWKYKNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C39H72O14 |
| Molecular Weight | 765.00 g/mol |
| Exact Mass | 764.49220697 g/mol |
| Topological Polar Surface Area (TPSA) | 203.00 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4S,5R)-2-[(3R,4S,5S,6S)-6-docosoxy-4,5-dihydroxyoxan-3-yl]oxy-3-hydroxy-5-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/419c2390-8560-11ee-8fe8-85d49f2f7d7e.jpg "2D Structure of [(2R,3S,4S,5R)-2-[(3R,4S,5S,6S)-6-docosoxy-4,5-dihydroxyoxan-3-yl]oxy-3-hydroxy-5-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-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 | 96.79% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.50% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.82% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.47% | 99.17% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.13% | 96.77% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 88.44% | 80.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.02% | 91.49% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.75% | 97.29% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.68% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.10% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.08% | 89.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.01% | 91.24% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.85% | 92.50% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 85.15% | 82.50% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.56% | 92.86% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.37% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.62% | 94.33% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 83.07% | 92.08% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 82.68% | 85.94% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.66% | 95.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.89% | 96.47% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.66% | 99.23% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.02% | 97.21% |
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.
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| There are no matching plants. |
| PubChem | 16097816 |
| LOTUS | LTS0148894 |
| wikiData | Q105122047 |