2-(Hydroxymethyl)-6-(thian-3-yloxy)oxane-3,4,5-triol
Internal ID | 63028def-f138-400a-a0ab-1ba7ca351163 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
IUPAC Name | 2-(hydroxymethyl)-6-(thian-3-yloxy)oxane-3,4,5-triol |
SMILES (Canonical) | C1CC(CSC1)OC2C(C(C(C(O2)CO)O)O)O |
SMILES (Isomeric) | C1CC(CSC1)OC2C(C(C(C(O2)CO)O)O)O |
InChI | InChI=1S/C11H20O6S/c12-4-7-8(13)9(14)10(15)11(17-7)16-6-2-1-3-18-5-6/h6-15H,1-5H2 |
InChI Key | FGCBPQOUONXDAL-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C11H20O6S |
Molecular Weight | 280.34 g/mol |
Exact Mass | 280.09805953 g/mol |
Topological Polar Surface Area (TPSA) | 125.00 Ų |
XlogP | -0.80 |
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 | 96.33% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.23% | 97.09% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 91.18% | 96.21% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.35% | 96.09% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 89.00% | 95.93% |
CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 86.23% | 97.47% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.88% | 96.61% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.78% | 95.50% |
CHEMBL3589 | P55263 | Adenosine kinase | 83.41% | 98.05% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.11% | 97.25% |
CHEMBL237 | P41145 | Kappa opioid receptor | 82.13% | 98.10% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.07% | 86.92% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.04% | 92.62% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.95% | 92.94% |
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.
Eutrema salsugineum |
PubChem | 162992485 |
LOTUS | LTS0099455 |
wikiData | Q104994804 |