[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] benzoate
| Internal ID | ceeb3e7c-6380-4a5f-8bf4-cb3f5905f94a |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Hexoses |
| IUPAC Name | [(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] benzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H16O6/c1-7-9(14)10(15)11(16)13(18-7)19-12(17)8-5-3-2-4-6-8/h2-7,9-11,13-16H,1H3/t7-,9-,10+,11-,13-/m0/s1 |
| InChI Key | QLJMLBNUXYMSGG-SHUZRBGRSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C13H16O6 |
| Molecular Weight | 268.26 g/mol |
| Exact Mass | 268.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of [(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/2s3s4r5r6s-345-trihydroxy-6-methyloxan-2-yl-benzoate.jpg "2D Structure of [(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] benzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.23% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.80% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.82% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.18% | 96.09% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 88.94% | 83.00% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 88.90% | 87.67% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 88.73% | 81.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.60% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.11% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.08% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.10% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.51% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.02% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.75% | 89.00% |
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.
| There are no matching plants. |
| PubChem | 163075914 |
| LOTUS | LTS0096358 |
| wikiData | Q105223622 |