(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[5-(2-phenylethynyl)thiophen-2-yl]methoxy]oxane-3,4,5-triol
| Internal ID | c01db241-8fea-4893-9c0a-c71442b43cd2 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[5-(2-phenylethynyl)thiophen-2-yl]methoxy]oxane-3,4,5-triol |
| SMILES (Canonical) | C1=CC=C(C=C1)C#CC2=CC=C(S2)COC3C(C(C(C(O3)CO)O)O)O |
| SMILES (Isomeric) | C1=CC=C(C=C1)C#CC2=CC=C(S2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChI | InChI=1S/C19H20O6S/c20-10-15-16(21)17(22)18(23)19(25-15)24-11-14-9-8-13(26-14)7-6-12-4-2-1-3-5-12/h1-5,8-9,15-23H,10-11H2/t15-,16-,17+,18-,19-/m1/s1 |
| InChI Key | LEVGAHRJCGJQQE-UJWQCDCRSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H20O6S |
| Molecular Weight | 376.40 g/mol |
| Exact Mass | 376.09805953 g/mol |
| Topological Polar Surface Area (TPSA) | 128.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[5-(2-phenylethynyl)thiophen-2-yl]methoxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2r3s4s5r6r-2-hydroxymethyl-6-5-2-phenylethynylthiophen-2-ylmethoxyoxane-345-triol.jpg "2D Structure of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[5-(2-phenylethynyl)thiophen-2-yl]methoxy]oxane-3,4,5-triol")
| 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 |
|---|---|---|---|---|
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 96.97% | 94.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.10% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.68% | 96.09% |
| CHEMBL3589 | P55263 | Adenosine kinase | 89.87% | 98.05% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 87.39% | 94.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.29% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.77% | 94.73% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 86.18% | 94.08% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.82% | 95.93% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.74% | 97.36% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.37% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.59% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.21% | 95.56% |
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.
| Bidens pilosa |
| PubChem | 162868162 |
| LOTUS | LTS0130769 |
| wikiData | Q105150806 |