[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl] 2,5-dihydroxybenzoate
| Internal ID | e40bea40-9f9a-4728-84c4-27ba9b9eae85 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acid esters > m-Hydroxybenzoic acid esters |
| IUPAC Name | [(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl] 2,5-dihydroxybenzoate |
| SMILES (Canonical) | C1C(C(C(C(O1)OC(=O)C2=C(C=CC(=C2)O)O)O)O)O |
| SMILES (Isomeric) | C1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C2=C(C=CC(=C2)O)O)O)O)O |
| InChI | InChI=1S/C12H14O8/c13-5-1-2-7(14)6(3-5)11(18)20-12-10(17)9(16)8(15)4-19-12/h1-3,8-10,12-17H,4H2/t8-,9+,10-,12+/m1/s1 |
| InChI Key | AJQWJTYMCZVSAR-KLBPJQLPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H14O8 |
| Molecular Weight | 286.23 g/mol |
| Exact Mass | 286.06886740 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | -0.40 |
| There are no found synonyms. |
![2D Structure of [(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl] 2,5-dihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/2s3r4s5r-345-trihydroxyoxan-2-yl-25-dihydroxybenzoate.jpg "2D Structure of [(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl] 2,5-dihydroxybenzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.80% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.76% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.34% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.97% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.79% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.92% | 90.71% |
| CHEMBL3194 | P02766 | Transthyretin | 83.44% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.71% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.65% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.63% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.29% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.18% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.08% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.57% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.28% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.06% | 86.33% |
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.
| Medicago truncatula |
| PubChem | 162950474 |
| LOTUS | LTS0164324 |
| wikiData | Q104913338 |