[(2R,3R,4S,5R,6R)-6-[(2S)-2,3-diacetyloxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
| Internal ID | 4a2986cd-ed94-4b19-8a21-15560145d325 |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Glycosylglycerols > Glycosyldiacylglycerols |
| IUPAC Name | [(2R,3R,4S,5R,6R)-6-[(2S)-2,3-diacetyloxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate |
| SMILES (Canonical) | CC(=O)OCC1C(C(C(C(O1)OCC(COC(=O)C)OC(=O)C)O)O)O |
| SMILES (Isomeric) | CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H](COC(=O)C)OC(=O)C)O)O)O |
| InChI | InChI=1S/C15H24O11/c1-7(16)22-4-10(25-9(3)18)5-24-15-14(21)13(20)12(19)11(26-15)6-23-8(2)17/h10-15,19-21H,4-6H2,1-3H3/t10-,11-,12+,13+,14-,15-/m1/s1 |
| InChI Key | IESIZHQYUZSJOM-PEZGRIKUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24O11 |
| Molecular Weight | 380.34 g/mol |
| Exact Mass | 380.13186158 g/mol |
| Topological Polar Surface Area (TPSA) | 158.00 Ų |
| XlogP | -2.20 |
| There are no found synonyms. |
![2D Structure of [(2R,3R,4S,5R,6R)-6-[(2S)-2,3-diacetyloxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2r3r4s5r6r-6-2s-23-diacetyloxypropoxy-345-trihydroxyoxan-2-ylmethyl-acetate.jpg "2D Structure of [(2R,3R,4S,5R,6R)-6-[(2S)-2,3-diacetyloxypropoxy]-3,4,5-trihydroxyoxan-2-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.00% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.81% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.05% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.13% | 97.25% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.97% | 97.21% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.65% | 94.73% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.53% | 92.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.24% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.79% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.24% | 96.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.15% | 91.11% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 82.86% | 83.00% |
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.
| Nicotiana tabacum |
| PubChem | 163021804 |
| LOTUS | LTS0213916 |
| wikiData | Q105111959 |