2-(Dimethylarsorylmethyl)-5-methoxyoxolane-3,4-diol
| Internal ID | ee449c95-1f4f-4e50-bf60-237b02d8b0ef |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | 2-(dimethylarsorylmethyl)-5-methoxyoxolane-3,4-diol |
| SMILES (Canonical) | COC1C(C(C(O1)C[As](=O)(C)C)O)O |
| SMILES (Isomeric) | COC1C(C(C(O1)C[As](=O)(C)C)O)O |
| InChI | InChI=1S/C8H17AsO5/c1-9(2,12)4-5-6(10)7(11)8(13-3)14-5/h5-8,10-11H,4H2,1-3H3 |
| InChI Key | JRXPNRFDAIXNRD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C8H17AsO5 |
| Molecular Weight | 268.14 g/mol |
| Exact Mass | 268.029193 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.10% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.29% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.55% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.41% | 94.73% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.40% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.02% | 99.17% |
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.
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| There are no matching plants. |
| PubChem | 73836673 |
| LOTUS | LTS0117656 |
| wikiData | Q105134162 |