5-[3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6,7,8-tetrahydroxy-2-oxooctanoic acid
| Internal ID | 241cb1e3-04ea-4fba-ad68-e0dc91f9478d |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > N-acyl-alpha-hexosamines |
| IUPAC Name | 5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6,7,8-tetrahydroxy-2-oxooctanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H27NO13/c1-5(20)17-10-13(26)12(25)9(4-19)29-16(10)30-14(11(24)8(23)3-18)6(21)2-7(22)15(27)28/h6,8-14,16,18-19,21,23-26H,2-4H2,1H3,(H,17,20)(H,27,28) |
| InChI Key | FOGIAMZAWWAKKV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H27NO13 |
| Molecular Weight | 441.38 g/mol |
| Exact Mass | 441.14823992 g/mol |
| Topological Polar Surface Area (TPSA) | 244.00 Ų |
| XlogP | -5.10 |
| There are no found synonyms. |
![2D Structure of 5-[3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6,7,8-tetrahydroxy-2-oxooctanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/5-3-acetamido-45-dihydroxy-6-hydroxymethyloxan-2-yloxy-4678-tetrahydroxy-2-oxooctanoic-acid.jpg "2D Structure of 5-[3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6,7,8-tetrahydroxy-2-oxooctanoic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.88% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.83% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.02% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.27% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.15% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.29% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.74% | 94.73% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 84.29% | 81.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.04% | 96.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.35% | 94.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.00% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.27% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.10% | 91.19% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.96% | 92.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163027460 |
| LOTUS | LTS0136297 |
| wikiData | Q104998747 |