2,6-diamino-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrimidin-4-one
| Internal ID | e42a06b8-568b-4944-aa94-5bb350fe68ee |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | 2,6-diamino-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrimidin-4-one |
| SMILES (Canonical) | C(C1C(C(C(C(O1)OC2=C(NC(=NC2=O)N)N)O)O)O)O |
| SMILES (Isomeric) | C(C1C(C(C(C(O1)OC2=C(NC(=NC2=O)N)N)O)O)O)O |
| InChI | InChI=1S/C10H16N4O7/c11-7-6(8(19)14-10(12)13-7)21-9-5(18)4(17)3(16)2(1-15)20-9/h2-5,9,15-18H,1H2,(H5,11,12,13,14,19) |
| InChI Key | KGNGTSCIQCLKEH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H16N4O7 |
| Molecular Weight | 304.26 g/mol |
| Exact Mass | 304.10189886 g/mol |
| Topological Polar Surface Area (TPSA) | 193.00 Ų |
| XlogP | -3.70 |
| There are no found synonyms. |
![2D Structure of 2,6-diamino-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrimidin-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/26-diamino-5-345-trihydroxy-6-hydroxymethyloxan-2-yloxy-1h-pyrimidin-4-one.jpg "2D Structure of 2,6-diamino-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrimidin-4-one")
| 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 | 93.24% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.10% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.98% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.32% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.87% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.20% | 85.14% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.39% | 96.21% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.30% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.33% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.31% | 86.92% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.05% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.94% | 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.
To see more specific details click the taxa you are interested in.
| Momordica charantia |
| Vicia narbonensis |
| PubChem | 261944 |
| LOTUS | LTS0056193 |
| wikiData | Q105140862 |