[5-(2-Amino-6-oxohydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen p hosphate
| Internal ID | b41dde0c-50e9-47e5-94e7-d11e9c3f48a7 |
| Taxonomy | Nucleosides, nucleotides, and analogues > Purine nucleotides > Purine ribonucleotides > Purine ribonucleoside monophosphates |
| IUPAC Name | [5-(2-amino-6-oxo-1H-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)N=C(NC2=O)N |
| SMILES (Isomeric) | C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(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) |
| InChI Key | RQFCJASXJCIDSX-UHFFFAOYSA-N |
| Popularity | 4 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 | -3.50 |
| SCHEMBL4361871 |
| SCHEMBL12727827 |
| SCHEMBL20276926 |
| BDBM81822 |
| DTXSID40859135 |
| BCP20449 |
| CAS_6804 |
| NSC_6804 |
| AKOS003368704 |
| AKOS015918500 |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of [5-(2-Amino-6-oxohydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen p hosphate](https://plantaedb.com/storage/docs/compounds/2023/11/5-2-amino-6-oxohydropurin-9-yl-34-dihydroxyoxolan-2-ylmethyl-dihydrogen-p-hosphate.jpg "2D Structure of [5-(2-Amino-6-oxohydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen p hosphate")
| 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 | 97.72% | 96.09% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 96.30% | 80.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.76% | 99.23% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.62% | 95.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.17% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.52% | 94.00% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 88.93% | 94.01% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 86.19% | 97.78% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.17% | 97.09% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 85.07% | 88.84% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.00% | 83.82% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 83.37% | 95.48% |
| CHEMBL1952 | P04818 | Thymidylate synthase | 82.19% | 93.53% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.11% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.68% | 91.11% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 81.52% | 95.64% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.02% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.14% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.05% | 99.17% |
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.
| Helianthus tuberosus |
| PubChem | 135400774 |
| LOTUS | LTS0173652 |
| wikiData | Q105243299 |