2-[5-Acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropanoic acid
| Internal ID | be2b4452-dfc0-41d9-9004-911e64d8b759 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > N-acyl-alpha-hexosamines |
| IUPAC Name | 2-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-6(3-13)20-11(18)7(8(9)15)12-5(2)14/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17) |
| InChI Key | CPRBVTZNVRIVGJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C11H19NO8 |
| Molecular Weight | 293.27 g/mol |
| Exact Mass | 293.11106656 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | -2.60 |
| There are no found synonyms. |
![2D Structure of 2-[5-Acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-5-acetamido-46-dihydroxy-2-hydroxymethyloxan-3-yloxypropanoic-acid.jpg "2D Structure of 2-[5-Acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropanoic 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.74% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.40% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.58% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.25% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.07% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.70% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.52% | 94.73% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.24% | 95.89% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.12% | 94.33% |
| CHEMBL3308 | P55212 | Caspase-6 | 83.05% | 97.56% |
| CHEMBL3776 | Q14790 | Caspase-8 | 83.05% | 97.06% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.31% | 94.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.98% | 82.50% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.87% | 89.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.76% | 92.50% |
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.
| There are no matching plants. |
| PubChem | 78173549 |
| LOTUS | LTS0185969 |
| wikiData | Q104967708 |