[(2R)-2,3-dihydroxypropoxy]-[(2S)-3-[(2R,3R,4S,5S)-5-(dimethylarsorylmethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxypropyl]phosphinic acid
| Internal ID | 2fd3efab-f369-4fa2-8b67-192e0167521a |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | [(2R)-2,3-dihydroxypropoxy]-[(2S)-3-[(2R,3R,4S,5S)-5-(dimethylarsorylmethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxypropyl]phosphinic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H28AsO11P/c1-14(2,20)3-10-11(18)12(19)13(25-10)23-5-9(17)7-26(21,22)24-6-8(16)4-15/h8-13,15-19H,3-7H2,1-2H3,(H,21,22)/t8-,9+,10-,11-,12-,13-/m1/s1 |
| InChI Key | HYDSJIWUWCJGHH-LREJFELKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C13H28AsO11P |
| Molecular Weight | 466.25 g/mol |
| Exact Mass | 466.058518 g/mol |
| Topological Polar Surface Area (TPSA) | 183.00 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
![2D Structure of [(2R)-2,3-dihydroxypropoxy]-[(2S)-3-[(2R,3R,4S,5S)-5-(dimethylarsorylmethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxypropyl]phosphinic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3ec5cd40-859c-11ee-bce7-7d17829174d3.jpg "2D Structure of [(2R)-2,3-dihydroxypropoxy]-[(2S)-3-[(2R,3R,4S,5S)-5-(dimethylarsorylmethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxypropyl]phosphinic acid")
| 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 | 97.24% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.99% | 97.29% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.00% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.74% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.02% | 97.25% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.98% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.63% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.34% | 86.92% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.42% | 96.37% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.12% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.65% | 96.00% |
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.
| There are no matching plants. |
| PubChem | 163055044 |
| LOTUS | LTS0045753 |
| wikiData | Q105035260 |