Phenyl beta-D-glucopyranosiduronic acid
| Internal ID | 3738e417-53ef-4cb8-b647-76de84d59e9c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid |
| SMILES (Canonical) | C1=CC=C(C=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O |
| SMILES (Isomeric) | C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChI | InChI=1S/C12H14O7/c13-7-8(14)10(11(16)17)19-12(9(7)15)18-6-4-2-1-3-5-6/h1-5,7-10,12-15H,(H,16,17)/t7-,8-,9+,10-,12+/m0/s1 |
| InChI Key | WVHAUDNUGBNUDZ-GOVZDWNOSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C12H14O7 |
| Molecular Weight | 270.23 g/mol |
| Exact Mass | 270.07395278 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 0.00 |
| phenyl glucuronide |
| Phenyl-beta-D-glucuronide |
| Phenyl beta-D-glucopyranosiduronic acid |
| phenol O-(beta-D-glucuronide) |
| phenyl beta-glucuronide |
| phenyl beta-D-glucuronide |
| phenol glucuronide |
| phenyl beta-D-glucosiduronic acid |
| (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid |
| (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-phenoxytetrahydro-2H-pyran-2-carboxylic acid |
| 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 | 94.51% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.46% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.35% | 94.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.71% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.82% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.88% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.07% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.39% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.23% | 98.95% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.23% | 83.00% |
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.
| Glycine max |
| PubChem | 87235 |
| LOTUS | LTS0067854 |
| wikiData | Q27133372 |