2-C-((Galloyloxy)methyl)-D-ribose 5-gallate
| Internal ID | 2107c936-55f8-40c0-8136-a979b25e9468 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives > Gallic acid and derivatives > Galloyl esters |
| IUPAC Name | [(2R,3R,4R)-4-formyl-2,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxypentyl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1=C(C=C(C(=C1O)O)O)C(=O)OCC(C(C(COC(=O)C2=CC(=C(C(=C2)O)O)O)(C=O)O)O)O |
| SMILES (Isomeric) | C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@H]([C@H]([C@](COC(=O)C2=CC(=C(C(=C2)O)O)O)(C=O)O)O)O |
| InChI | InChI=1S/C20H20O14/c21-6-20(32,7-34-19(31)9-3-12(24)16(28)13(25)4-9)17(29)14(26)5-33-18(30)8-1-10(22)15(27)11(23)2-8/h1-4,6,14,17,22-29,32H,5,7H2/t14-,17-,20-/m1/s1 |
| InChI Key | STINYPFJROKCKD-WIBUTAKZSA-N |
| Popularity | 21 references in papers |
| Molecular Formula | C20H20O14 |
| Molecular Weight | 484.40 g/mol |
| Exact Mass | 484.08530531 g/mol |
| Topological Polar Surface Area (TPSA) | 252.00 Ų |
| XlogP | -1.30 |
| hamamelitannin (open form) |
| HAMAMELITANNIN [MI] |
| UNII-Z4320A2K26 |
| HY-N4117 |
| EINECS 207-416-3 |
| AKOS040760441 |
| 2',5-DI-O-GALLOYL-D-HAMAMELOSE |
| CS-0032127 |
| 2-C-((Galloyloxy)methyl)-D-ribose 5-gallate |
| Q27294967 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 98.00% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.37% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.34% | 96.09% |
| CHEMBL3194 | P02766 | Transthyretin | 89.98% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.15% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.84% | 94.73% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 88.58% | 83.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.57% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.22% | 86.33% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.29% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.18% | 89.34% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.11% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.92% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.09% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.97% | 89.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.81% | 95.17% |
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.
| Hamamelis virginiana |
| PubChem | 21145076 |
| LOTUS | LTS0083318 |
| wikiData | Q27294967 |