[(2R,3S,4S,5S,6R)-3,4,5,6-tetraacetyloxythian-2-yl]methyl acetate
| Internal ID | f255521a-25a4-4448-bb05-7c57ad8c39f8 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Pentacarboxylic acids and derivatives |
| IUPAC Name | [(2R,3S,4S,5S,6R)-3,4,5,6-tetraacetyloxythian-2-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H22O10S/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15+,16-/m1/s1 |
| InChI Key | RFPPVTQRDZKNPS-RBGFHDKUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H22O10S |
| Molecular Weight | 406.40 g/mol |
| Exact Mass | 406.09336807 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4S,5S,6R)-3,4,5,6-tetraacetyloxythian-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2r3s4s5s6r-3456-tetraacetyloxythian-2-ylmethyl-acetate.jpg "2D Structure of [(2R,3S,4S,5S,6R)-3,4,5,6-tetraacetyloxythian-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.36% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.04% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.23% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.13% | 96.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.82% | 94.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.89% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.66% | 85.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.38% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.10% | 99.17% |
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 | 13833311 |
| LOTUS | LTS0082689 |
| wikiData | Q105235532 |