(2R,3R,3As,6aR)-2-(6-aminopurin-9-yl)-5-(carboxymethyl)-3-hydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-carboxylic acid
| Internal ID | 592e1597-8c14-48e7-96a2-d7a889428cba |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Glycosylamines |
| IUPAC Name | (2R,3R,3aS,6aR)-2-(6-aminopurin-9-yl)-5-(carboxymethyl)-3-hydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H15N5O7/c15-10-7-11(17-3-16-10)19(4-18-7)12-8(22)9-5(25-12)1-14(26-9,13(23)24)2-6(20)21/h3-5,8-9,12,22H,1-2H2,(H,20,21)(H,23,24)(H2,15,16,17)/t5-,8-,9-,12-,14?/m1/s1 |
| InChI Key | JSIJXGJOXVPSCW-BTCNWKQISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H15N5O7 |
| Molecular Weight | 365.30 g/mol |
| Exact Mass | 365.09714783 g/mol |
| Topological Polar Surface Area (TPSA) | 183.00 Ų |
| XlogP | -2.20 |
| There are no found synonyms. |
![2D Structure of (2R,3R,3As,6aR)-2-(6-aminopurin-9-yl)-5-(carboxymethyl)-3-hydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/50129be0-85fb-11ee-8fd1-b7ec7d036f93.jpg "2D Structure of (2R,3R,3As,6aR)-2-(6-aminopurin-9-yl)-5-(carboxymethyl)-3-hydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-carboxylic 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 | 98.93% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.95% | 83.82% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.53% | 90.17% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 95.77% | 100.00% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 94.66% | 95.48% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.00% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.06% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.61% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.09% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.58% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.13% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.63% | 94.00% |
| CHEMBL3589 | P55263 | Adenosine kinase | 84.61% | 98.05% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 84.08% | 80.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.52% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.54% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.17% | 94.73% |
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 | 13629784 |
| LOTUS | LTS0043690 |
| wikiData | Q105134384 |