[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(3-methylbut-3-enyl)oxolan-2-yl]methyl dihydrogen phosphate
| Internal ID | 9330cd64-c61b-4bc0-9052-bbfdf4f9759e |
| Taxonomy | Nucleosides, nucleotides, and analogues > Purine nucleotides > Purine ribonucleotides > Purine ribonucleoside monophosphates |
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(3-methylbut-3-enyl)oxolan-2-yl]methyl dihydrogen phosphate |
| SMILES (Canonical) | CC(=C)CCC1(C(C(C(O1)COP(=O)(O)O)O)O)N2C=NC3=C(N=CN=C32)N |
| SMILES (Isomeric) | CC(=C)CC[C@@]1([C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)N2C=NC3=C(N=CN=C32)N |
| InChI | InChI=1S/C15H22N5O7P/c1-8(2)3-4-15(20-7-19-10-13(16)17-6-18-14(10)20)12(22)11(21)9(27-15)5-26-28(23,24)25/h6-7,9,11-12,21-22H,1,3-5H2,2H3,(H2,16,17,18)(H2,23,24,25)/t9-,11-,12-,15-/m1/s1 |
| InChI Key | BBGCWPNVOJCQCG-SDBHATRESA-N |
| Popularity | 73 references in papers |
| Molecular Formula | C15H22N5O7P |
| Molecular Weight | 415.34 g/mol |
| Exact Mass | 415.12568506 g/mol |
| Topological Polar Surface Area (TPSA) | 186.00 Ų |
| XlogP | -1.60 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(3-methylbut-3-enyl)oxolan-2-yl]methyl dihydrogen phosphate](https://plantaedb.com/storage/docs/compounds/2023/11/2f33e6b0-8626-11ee-bef1-5581a20fe87a.jpg "2D Structure of [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(3-methylbut-3-enyl)oxolan-2-yl]methyl dihydrogen phosphate")
| 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 | 99.21% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.31% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.23% | 94.73% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 89.96% | 80.33% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 89.63% | 94.01% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.75% | 94.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 88.18% | 93.10% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.20% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.43% | 99.23% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.15% | 95.17% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.62% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.31% | 95.89% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 83.97% | 97.53% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.67% | 85.14% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 82.96% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.41% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.44% | 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.
| Arabidopsis thaliana |
| Humulus lupulus |
| PubChem | 66969974 |
| LOTUS | LTS0179138 |
| wikiData | Q105100440 |