[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(4R,5S)-6-(3-methylbut-2-enylimino)-4,5-dihydro-1H-purin-9-yl]oxolan-2-yl] dihydrogen phosphate
| Internal ID | 6d172c42-3a8e-4252-ac8d-604f52fae3fc |
| Taxonomy | Organoheterocyclic compounds > Imidazopyrimidines |
| IUPAC Name | [(2R,3R,4S,5R)-3,4-dihydroxy-5-[(4R,5S)-6-(3-methylbut-2-enylimino)-4,5-dihydro-1H-purin-9-yl]oxolan-2-yl] dihydrogen phosphate |
| SMILES (Canonical) | CC(=CCN=C1C2C(N=CN1)N(C=N2)C3C(C(C(O3)OP(=O)(O)O)O)O)C |
| SMILES (Isomeric) | CC(=CCN=C1[C@@H]2[C@H](N=CN1)N(C=N2)[C@H]3[C@H]([C@H]([C@H](O3)OP(=O)(O)O)O)O)C |
| InChI | InChI=1S/C14H22N5O7P/c1-7(2)3-4-15-11-8-12(17-5-16-11)19(6-18-8)13-9(20)10(21)14(25-13)26-27(22,23)24/h3,5-6,8-10,12-14,20-21H,4H2,1-2H3,(H,15,16,17)(H2,22,23,24)/t8-,9+,10-,12-,13-,14-/m1/s1 |
| InChI Key | BTVDENVTOLEBMU-IJKURQBASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H22N5O7P |
| Molecular Weight | 403.33 g/mol |
| Exact Mass | 403.12568506 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | -2.70 |
| There are no found synonyms. |
![2D Structure of [(2R,3R,4S,5R)-3,4-dihydroxy-5-[(4R,5S)-6-(3-methylbut-2-enylimino)-4,5-dihydro-1H-purin-9-yl]oxolan-2-yl] dihydrogen phosphate](https://plantaedb.com/storage/docs/compounds/2023/11/bb0b2aa0-86a3-11ee-9ea5-55c02d66eb16.jpg "2D Structure of [(2R,3R,4S,5R)-3,4-dihydroxy-5-[(4R,5S)-6-(3-methylbut-2-enylimino)-4,5-dihydro-1H-purin-9-yl]oxolan-2-yl] 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 | 97.55% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.39% | 94.73% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 91.30% | 93.10% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 90.51% | 83.57% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.09% | 85.14% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.33% | 89.34% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.35% | 94.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.48% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.42% | 99.17% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 80.91% | 80.33% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.58% | 98.59% |
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 |
| PubChem | 162903498 |
| LOTUS | LTS0147001 |
| wikiData | Q104945878 |