(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-[(4-hydroxyphenyl)methyl]oxolane-3,4-diol
| Internal ID | 055329ca-876d-4f6a-8266-a54d2e5db818 |
| Taxonomy | Nucleosides, nucleotides, and analogues > Purine nucleosides |
| IUPAC Name | (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-[(4-hydroxyphenyl)methyl]oxolane-3,4-diol |
| SMILES (Canonical) | C1=CC(=CC=C1CC2(C(C(C(O2)CO)O)O)N3C=NC4=C(N=CN=C43)N)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C[C@@]2([C@@H]([C@@H]([C@H](O2)CO)O)O)N3C=NC4=C(N=CN=C43)N)O |
| InChI | InChI=1S/C17H19N5O5/c18-15-12-16(20-7-19-15)22(8-21-12)17(5-9-1-3-10(24)4-2-9)14(26)13(25)11(6-23)27-17/h1-4,7-8,11,13-14,23-26H,5-6H2,(H2,18,19,20)/t11-,13-,14-,17-/m1/s1 |
| InChI Key | JRNIZQJLUVHIPX-LSCFUAHRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H19N5O5 |
| Molecular Weight | 373.40 g/mol |
| Exact Mass | 373.13861872 g/mol |
| Topological Polar Surface Area (TPSA) | 160.00 Ų |
| XlogP | -0.50 |
| There are no found synonyms. |
![2D Structure of (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-[(4-hydroxyphenyl)methyl]oxolane-3,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/2r3r4s5r-2-6-aminopurin-9-yl-5-hydroxymethyl-2-4-hydroxyphenylmethyloxolane-34-diol.jpg "2D Structure of (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-[(4-hydroxyphenyl)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 | 98.36% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.16% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.18% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.19% | 95.89% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 89.68% | 93.10% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 89.63% | 100.00% |
| CHEMBL3589 | P55263 | Adenosine kinase | 89.16% | 98.05% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 88.03% | 95.48% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 87.49% | 91.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.84% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.49% | 97.09% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 86.22% | 82.86% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 85.76% | 91.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.93% | 86.33% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 84.30% | 98.46% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.23% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.88% | 99.17% |
| CHEMBL3891 | P07384 | Calpain 1 | 81.47% | 93.04% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.02% | 95.78% |
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.
| Gastrodia elata |
| PubChem | 66589628 |
| LOTUS | LTS0101705 |
| wikiData | Q105134009 |