[(2S,3R,4S,5S)-3,4-dihydroxy-5-[6-(3-methylbut-2-enylamino)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
| Internal ID | 2914709e-4897-4b73-9970-ef79dfe28867 |
| Taxonomy | Nucleosides, nucleotides, and analogues > Purine nucleotides > Purine ribonucleotides > Purine ribonucleoside monophosphates |
| IUPAC Name | [(2S,3R,4S,5S)-3,4-dihydroxy-5-[6-(3-methylbut-2-enylamino)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate |
| SMILES (Canonical) | CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)C |
| SMILES (Isomeric) | CC(=CCNC1=C2C(=NC=N1)N(C=N2)[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)O)O)O)C |
| InChI | InChI=1S/C15H22N5O7P/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(27-15)5-26-28(23,24)25/h3,6-7,9,11-12,15,21-22H,4-5H2,1-2H3,(H,16,17,18)(H2,23,24,25)/t9-,11-,12-,15-/m0/s1 |
| InChI Key | DUISZFLWBAPRBR-OXUWNYNTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22N5O7P |
| Molecular Weight | 415.34 g/mol |
| Exact Mass | 415.12568506 g/mol |
| Topological Polar Surface Area (TPSA) | 172.00 Ų |
| XlogP | -1.40 |
| There are no found synonyms. |
![2D Structure of [(2S,3R,4S,5S)-3,4-dihydroxy-5-[6-(3-methylbut-2-enylamino)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate](https://plantaedb.com/storage/docs/compounds/2023/11/8b445980-8666-11ee-a2b7-fdbc88b8d638.jpg "2D Structure of [(2S,3R,4S,5S)-3,4-dihydroxy-5-[6-(3-methylbut-2-enylamino)purin-9-yl]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 |
|---|---|---|---|---|
| CHEMBL3401 | O75469 | Pregnane X receptor | 97.67% | 94.73% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 97.32% | 80.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.99% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.42% | 95.93% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 90.00% | 93.10% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.30% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.27% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.41% | 99.17% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.47% | 96.90% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 84.53% | 97.53% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.45% | 94.00% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 84.10% | 97.78% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.60% | 95.89% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.52% | 94.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.21% | 89.34% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 82.89% | 91.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.80% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.68% | 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 | 154496787 |
| LOTUS | LTS0228055 |
| wikiData | Q104989252 |