(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[[(S)-methylsulfinyl]methyl]oxolane-3,4-diol
| Internal ID | 14a9ea9f-a3f3-4f94-9f18-7bf79370050a |
| Taxonomy | Nucleosides, nucleotides, and analogues > 5-deoxyribonucleosides |
| IUPAC Name | (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[[(S)-methylsulfinyl]methyl]oxolane-3,4-diol |
| SMILES (Canonical) | CS(=O)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O |
| SMILES (Isomeric) | C[S@](=O)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O |
| InChI | InChI=1S/C11H15N5O4S/c1-21(19)2-5-7(17)8(18)11(20-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-,21+/m1/s1 |
| InChI Key | WXOJULRVRHWMGT-BDXGFHOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C11H15N5O4S |
| Molecular Weight | 313.34 g/mol |
| Exact Mass | 313.08447515 g/mol |
| Topological Polar Surface Area (TPSA) | 156.00 Ų |
| XlogP | -1.80 |
| There are no found synonyms. |
![2D Structure of (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[[(S)-methylsulfinyl]methyl]oxolane-3,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/2r3r4s5s-2-6-aminopurin-9-yl-5-s-methylsulfinylmethyloxolane-34-diol.jpg "2D Structure of (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[[(S)-methylsulfinyl]methyl]oxolane-3,4-diol")
| 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 | 98.73% | 96.09% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 94.31% | 100.00% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 90.12% | 80.33% |
| CHEMBL3589 | P55263 | Adenosine kinase | 89.41% | 98.05% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.23% | 94.73% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 88.49% | 95.48% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.85% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.18% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.92% | 95.89% |
| CHEMBL5524 | Q99873 | Protein-arginine N-methyltransferase 1 | 83.24% | 96.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.69% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.59% | 95.56% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.51% | 93.10% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.17% | 98.95% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 81.46% | 98.46% |
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.
| Breynia androgyna |
| PubChem | 129360145 |
| LOTUS | LTS0106728 |
| wikiData | Q105314790 |