1H-indol-3-yl (2S,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolane-2-carboxylate
| Internal ID | aeb97bc8-ddda-4773-b0ea-223d22056985 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > C-glycosyl compounds |
| IUPAC Name | 1H-indol-3-yl (2S,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolane-2-carboxylate |
| SMILES (Canonical) | C1=CC=C2C(=C1)C(=CN2)OC(=O)C3C(C(C(O3)(CO)O)O)O |
| SMILES (Isomeric) | C1=CC=C2C(=C1)C(=CN2)OC(=O)[C@@H]3[C@H]([C@@H]([C@](O3)(CO)O)O)O |
| InChI | InChI=1S/C14H15NO7/c16-6-14(20)12(18)10(17)11(22-14)13(19)21-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-12,15-18,20H,6H2/t10-,11+,12+,14-/m1/s1 |
| InChI Key | KGXOHVOUKNLUNP-OWTLIXCDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H15NO7 |
| Molecular Weight | 309.27 g/mol |
| Exact Mass | 309.08485182 g/mol |
| Topological Polar Surface Area (TPSA) | 132.00 Ų |
| XlogP | 0.00 |
| 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 | 98.80% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 94.55% | 94.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.64% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.28% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.55% | 94.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 89.23% | 83.10% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 88.83% | 89.44% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 88.31% | 88.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.95% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.72% | 98.95% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 87.03% | 89.67% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 85.20% | 94.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.70% | 92.62% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.46% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.61% | 98.75% |
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.
| Isatis tinctoria |
| Persicaria tinctoria |
| PubChem | 6325414 |
| LOTUS | LTS0145865 |
| wikiData | Q104667290 |