(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[6-[[(Z)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolane-3,4-diol
| Internal ID | d0825290-afae-468d-a6d4-1c54fefcee36 |
| Taxonomy | Nucleosides, nucleotides, and analogues > Purine nucleosides |
| IUPAC Name | (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[6-[[(Z)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolane-3,4-diol |
| SMILES (Canonical) | CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)CO |
| SMILES (Isomeric) | C/C(=C/CNC1=C2C(=NC=N1)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)/CO |
| InChI | InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2-/t9-,11-,12-,15+/m1/s1 |
| InChI Key | GOSWTRUMMSCNCW-ZHAIZKQGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H21N5O5 |
| Molecular Weight | 351.36 g/mol |
| Exact Mass | 351.15426879 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | -0.10 |
| There are no found synonyms. |
![2D Structure of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[6-[[(Z)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolane-3,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/a01e5af0-85ac-11ee-a7b8-9532c00135a1.jpg "2D Structure of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[6-[[(Z)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]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 |
|---|---|---|---|---|
| CHEMBL3589 | P55263 | Adenosine kinase | 98.40% | 98.05% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.22% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.91% | 95.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.04% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.45% | 91.11% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 91.67% | 80.33% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 88.58% | 91.38% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.91% | 93.10% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 86.49% | 95.64% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.71% | 89.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.46% | 95.83% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.05% | 99.17% |
| CHEMBL5524 | Q99873 | Protein-arginine N-methyltransferase 1 | 84.35% | 96.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.58% | 94.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.15% | 96.90% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 82.95% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.31% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.02% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.42% | 86.33% |
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.
| Ipomoea batatas |
| PubChem | 163188849 |
| LOTUS | LTS0099499 |
| wikiData | Q105014537 |