1,2,4-Trigalloyl-beta-D-glucopyranose
| Internal ID | 12638c6f-64ca-4703-a16e-ee853c3e7052 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins |
| IUPAC Name | [4-hydroxy-2-(hydroxymethyl)-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-3-yl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1=C(C=C(C(=C1O)O)O)C(=O)OC2C(OC(C(C2O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)CO |
| SMILES (Isomeric) | C1=C(C=C(C(=C1O)O)O)C(=O)OC2C(OC(C(C2O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)CO |
| InChI | InChI=1S/C27H24O18/c28-7-17-22(43-24(39)8-1-11(29)18(35)12(30)2-8)21(38)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2 |
| InChI Key | QIMAAFXJNKMZMG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H24O18 |
| Molecular Weight | 636.50 g/mol |
| Exact Mass | 636.09626391 g/mol |
| Topological Polar Surface Area (TPSA) | 311.00 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
| 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 | 99.06% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.90% | 96.09% |
| CHEMBL3194 | P02766 | Transthyretin | 90.98% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.81% | 99.17% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 90.05% | 83.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 89.21% | 95.64% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.73% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.53% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.57% | 98.95% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.27% | 86.92% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.73% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.66% | 86.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.56% | 89.34% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.64% | 92.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.69% | 90.00% |
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.
| Balanophora japonica |
| Punica granatum |
| PubChem | 15596071 |
| LOTUS | LTS0201848 |
| wikiData | Q105221488 |