(2R,3R,4S,5S,6R)-2-[(2S)-pentan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
| Internal ID | 0c36ecff-b8a0-4e2e-808c-ae2cdba644e7 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[(2S)-pentan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol |
| SMILES (Canonical) | CCCC(C)OC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O |
| SMILES (Isomeric) | CCC[C@H](C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O)O)O |
| InChI | InChI=1S/C16H30O10/c1-3-4-7(2)25-16-14(22)12(20)11(19)9(26-16)6-24-15-13(21)10(18)8(17)5-23-15/h7-22H,3-6H2,1-2H3/t7-,8+,9+,10-,11+,12-,13+,14+,15-,16+/m0/s1 |
| InChI Key | ALDQQSZYUDZKBF-ZHFVSHRQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H30O10 |
| Molecular Weight | 382.40 g/mol |
| Exact Mass | 382.18389715 g/mol |
| Topological Polar Surface Area (TPSA) | 158.00 Ų |
| XlogP | -2.40 |
| There are no found synonyms. |
![2D Structure of (2R,3R,4S,5S,6R)-2-[(2S)-pentan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/798efd20-85c7-11ee-aa9a-7159650bb582.jpg "2D Structure of (2R,3R,4S,5S,6R)-2-[(2S)-pentan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.20% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.48% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.47% | 83.82% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.79% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.52% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.09% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.92% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.18% | 97.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.27% | 96.47% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.39% | 92.86% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 84.32% | 82.50% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 84.20% | 80.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.06% | 94.73% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 81.35% | 97.78% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.86% | 93.56% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 80.12% | 95.00% |
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.
| Alangium premnifolium |
| Camellia sinensis |
| PubChem | 101995249 |
| LOTUS | LTS0162537 |
| wikiData | Q104914029 |