6-Galloylglucose
| Internal ID | 2ec44048-4454-41d7-84bf-8f75d74205e7 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Heptoses |
| IUPAC Name | (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-7-oxo-7-(3,4,5-trihydroxyphenyl)heptanal |
| SMILES (Canonical) | C1=C(C=C(C(=C1O)O)O)C(=O)C(C(C(C(C(C=O)O)O)O)O)O |
| SMILES (Isomeric) | C1=C(C=C(C(=C1O)O)O)C(=O)C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O |
| InChI | InChI=1S/C13H16O10/c14-3-7(17)10(20)12(22)13(23)11(21)8(18)4-1-5(15)9(19)6(16)2-4/h1-3,7,10-13,15-17,19-23H/t7-,10+,11?,12-,13+/m0/s1 |
| InChI Key | NFGQPAQBOQKAOR-ZEKXRDCQSA-N |
| Popularity | 16 references in papers |
| Molecular Formula | C13H16O10 |
| Molecular Weight | 332.26 g/mol |
| Exact Mass | 332.07434670 g/mol |
| Topological Polar Surface Area (TPSA) | 196.00 Ų |
| XlogP | -3.10 |
| CHEBI:192289 |
| (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-7-oxo-7-(3,4,5-trihydroxyphenyl)heptanal |
| 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 | 97.87% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 89.43% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.26% | 95.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.79% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.70% | 99.17% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 84.19% | 98.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.15% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.73% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.96% | 89.34% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.42% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.29% | 89.00% |
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.
| Camellia sinensis |
| PubChem | 129633581 |
| LOTUS | LTS0247162 |
| wikiData | Q105178468 |