7-(beta-D-glucosyloxy)-2-oxindole-3-acetic acid
| Internal ID | 7e74ce1c-6416-4a66-9971-23dbfdcc3bd7 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 2-[2-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3-dihydroindol-3-yl]acetic acid |
| SMILES (Canonical) | C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)NC(=O)C2CC(=O)O |
| SMILES (Isomeric) | C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)NC(=O)C2CC(=O)O |
| InChI | InChI=1S/C16H19NO9/c18-5-9-12(21)13(22)14(23)16(26-9)25-8-3-1-2-6-7(4-10(19)20)15(24)17-11(6)8/h1-3,7,9,12-14,16,18,21-23H,4-5H2,(H,17,24)(H,19,20)/t7?,9-,12-,13+,14-,16-/m1/s1 |
| InChI Key | GJXGLYODFWLYHO-PNNKGAHQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H19NO9 |
| Molecular Weight | 369.32 g/mol |
| Exact Mass | 369.10598118 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | -1.90 |
| 7-(O-beta-glucosyloxy)oxindole-3-acetic acid |
| 7-hydroxy-2-oxindole-3-acetic acid glucoside |
| 7-(beta-D-glucosyloxy)-2-oxindole-3-acetic acid |
| 7-hydroxy-2-oxindole-3-acetic acid beta-glucoside |
| 7-hydroxy-2-oxindole-3-acetic acid beta-D-glucoside |
| [7-(beta-D-glucopyranosyloxy)-2-oxo-2,3-dihydro-1H-indol-3-yl]acetic acid |
| 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 | 97.26% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.12% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.04% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.27% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.38% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.42% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.69% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.58% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.69% | 85.14% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 83.45% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.16% | 97.09% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 81.63% | 94.23% |
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.
| Arabidopsis thaliana |
| PubChem | 44159515 |
| LOTUS | LTS0049036 |
| wikiData | Q105106963 |