[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 3,4-dihydroxybenzoate
| Internal ID | 4f83e5a7-06f2-42a9-bd82-83e071f003df |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > p-Hydroxybenzoic acid esters > p-Hydroxybenzoic acid alkyl esters |
| IUPAC Name | [(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 3,4-dihydroxybenzoate |
| SMILES (Canonical) | C1=CC(=C(C=C1C(=O)OCC2C(C(C(C(O2)O)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)O)O)O)O)O |
| InChI | InChI=1S/C13H16O9/c14-6-2-1-5(3-7(6)15)12(19)21-4-8-9(16)10(17)11(18)13(20)22-8/h1-3,8-11,13-18,20H,4H2/t8-,9-,10+,11-,13+/m1/s1 |
| InChI Key | JBLVGFKMCLXCOP-HMUNZLOLSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C13H16O9 |
| Molecular Weight | 316.26 g/mol |
| Exact Mass | 316.07943208 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | -1.60 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 3,4-dihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/2r3s4s5r6s-3456-tetrahydroxyoxan-2-ylmethyl-34-dihydroxybenzoate.jpg "2D Structure of [(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 3,4-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 | 98.37% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.79% | 91.49% |
| CHEMBL3194 | P02766 | Transthyretin | 91.68% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.99% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.71% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.00% | 95.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.84% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.60% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.48% | 86.33% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 83.27% | 83.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.69% | 89.00% |
| CHEMBL3891 | P07384 | Calpain 1 | 81.59% | 93.04% |
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.
| Salvinia molesta |
| PubChem | 163194824 |
| LOTUS | LTS0085752 |
| wikiData | Q104888781 |