(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-pentoxyoxolane-3,4-diol
| Internal ID | 777c62d0-5c9c-435d-ad74-f072f285b563 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > C-glycosyl compounds |
| IUPAC Name | (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-pentoxyoxolane-3,4-diol |
| SMILES (Canonical) | CCCCCOC1(C(C(C(O1)CO)O)O)CO |
| SMILES (Isomeric) | CCCCCO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO |
| InChI | InChI=1S/C11H22O6/c1-2-3-4-5-16-11(7-13)10(15)9(14)8(6-12)17-11/h8-10,12-15H,2-7H2,1H3/t8-,9-,10+,11-/m1/s1 |
| InChI Key | SNGWVXBFQQWMDJ-CHWFTXMASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C11H22O6 |
| Molecular Weight | 250.29 g/mol |
| Exact Mass | 250.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 99.40 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.16% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.92% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.16% | 91.11% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.15% | 92.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.90% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.32% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.51% | 97.29% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.76% | 95.93% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.16% | 97.79% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.27% | 92.86% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.04% | 98.03% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.99% | 96.61% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.73% | 95.50% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 80.83% | 80.33% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.79% | 92.32% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 80.54% | 90.24% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.15% | 94.73% |
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.
| Brachystemma calycinum |
| PubChem | 102443008 |
| LOTUS | LTS0137461 |
| wikiData | Q105256428 |