Methyl 6-O-galloyl-b-D-glucopyranoside
| Internal ID | dc6adda2-e80b-4a0c-89e2-e716be190a7e |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives > Gallic acid and derivatives > Galloyl esters |
| IUPAC Name | (3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | COC1C(C(C(C(O1)COC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O |
| SMILES (Isomeric) | COC1C(C(C(C(O1)COC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O |
| InChI | InChI=1S/C14H18O10/c1-22-14-12(20)11(19)10(18)8(24-14)4-23-13(21)5-2-6(15)9(17)7(16)3-5/h2-3,8,10-12,14-20H,4H2,1H3 |
| InChI Key | FNCIIGZVDLRIDE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H18O10 |
| Molecular Weight | 346.29 g/mol |
| Exact Mass | 346.08999677 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | -1.40 |
| Methyl 6-O-galloyl-b-D-glucopyranoside |
| 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 | 98.65% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.28% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.36% | 94.73% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 91.23% | 95.64% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.52% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.42% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.29% | 94.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.65% | 92.50% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 85.33% | 83.00% |
| CHEMBL3194 | P02766 | Transthyretin | 85.23% | 90.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.30% | 90.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.58% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.29% | 97.21% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.16% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.76% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.56% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.55% | 96.00% |
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.
| Elaeocarpus sylvestris |
| Sanguisorba officinalis |
| PubChem | 78385296 |
| LOTUS | LTS0238004 |
| wikiData | Q104403530 |