[6-(1,3-Dimethyl-2,6-dioxopurin-9-yl)-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
| Internal ID | ce6cec50-9dc7-49fd-91ae-9cfbdf01f2b0 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Hexoses > Hexose phosphates |
| IUPAC Name | [6-(1,3-dimethyl-2,6-dioxopurin-9-yl)-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate |
| SMILES (Canonical) | CN1C2=C(C(=O)N(C1=O)C)N=CN2C3C(C(C(C(O3)COP(=O)(O)O)O)O)O |
| SMILES (Isomeric) | CN1C2=C(C(=O)N(C1=O)C)N=CN2C3C(C(C(C(O3)COP(=O)(O)O)O)O)O |
| InChI | InChI=1S/C13H19N4O10P/c1-15-10-6(11(21)16(2)13(15)22)14-4-17(10)12-9(20)8(19)7(18)5(27-12)3-26-28(23,24)25/h4-5,7-9,12,18-20H,3H2,1-2H3,(H2,23,24,25) |
| InChI Key | GGZXXCLVVREIPK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H19N4O10P |
| Molecular Weight | 422.28 g/mol |
| Exact Mass | 422.08387981 g/mol |
| Topological Polar Surface Area (TPSA) | 195.00 Ų |
| XlogP | -4.30 |
| There are no found synonyms. |
![2D Structure of [6-(1,3-Dimethyl-2,6-dioxopurin-9-yl)-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate](https://plantaedb.com/storage/docs/compounds/2023/11/6-13-dimethyl-26-dioxopurin-9-yl-345-trihydroxyoxan-2-ylmethyl-dihydrogen-phosphate.jpg "2D Structure of [6-(1,3-Dimethyl-2,6-dioxopurin-9-yl)-3,4,5-trihydroxyoxan-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 | 98.90% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 98.71% | 95.93% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 96.63% | 80.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.54% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.39% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.96% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.51% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.43% | 89.00% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 83.85% | 97.78% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.57% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.69% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.91% | 97.25% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.07% | 92.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.59% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.50% | 95.89% |
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.
| Cicer arietinum |
| PubChem | 162930648 |
| LOTUS | LTS0027719 |
| wikiData | Q105008397 |