[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
| Internal ID | ebf5cf15-3526-4814-9173-86e188946cfb |
| Taxonomy | Nucleosides, nucleotides, and analogues > Purine nucleotides > Purine ribonucleotides > Purine ribonucleoside monophosphates |
| IUPAC Name | [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate |
| SMILES (Canonical) | C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)NC(=NC2=O)N |
| SMILES (Isomeric) | C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=NC2=O)N |
| InChI | InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 |
| InChI Key | RQFCJASXJCIDSX-UUOKFMHZSA-N |
| Popularity | 24 references in papers |
| Molecular Formula | C10H14N5O8P |
| Molecular Weight | 363.22 g/mol |
| Exact Mass | 363.05799942 g/mol |
| Topological Polar Surface Area (TPSA) | 202.00 Ų |
| XlogP | -4.30 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate](https://plantaedb.com/storage/docs/compounds/2023/07/2r3s4r5r-5-2-amino-6-oxo-3h-purin-9-yl-34-dihydroxyoxolan-2-ylmethyl-dihydrogen-phosphate.jpg "2D Structure of [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-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 |
|---|---|---|---|---|---|
| CHEMBL2360 | P00492 | Hypoxanthine-guanine phosphoribosyltransferase |
5800 nM 5800 nM |
Ki Ki |
PMID: 19527031
PMID: 25915781 |
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.83% | 96.09% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 96.30% | 80.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.30% | 95.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.95% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.65% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.44% | 94.00% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 87.27% | 94.01% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.99% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.46% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.86% | 94.45% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 82.10% | 97.78% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.69% | 89.34% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 81.33% | 88.84% |
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 |
| Helianthus tuberosus |
| Isodon rubescens |
| Mallotus philippensis |
| Plectranthus welwitschii |
| Seseli libanotis subsp. intermedium |
| PubChem | 6804 |
| NPASS | NPC211820 |
| ChEMBL | CHEMBL283807 |
| LOTUS | LTS0268843 |
| wikiData | Q422473 |