9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3H-purin-6-one
| Internal ID | f435d1da-b411-432d-aae2-eaec724c615a |
| Taxonomy | Nucleosides, nucleotides, and analogues > Purine nucleotides > Cyclic purine nucleotides > 3,5-cyclic purine nucleotides |
| IUPAC Name | 9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3H-purin-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C10H11N4O7P/c15-6-7-4(1-19-22(17,18)21-7)20-10(6)14-3-13-5-8(14)11-2-12-9(5)16/h2-4,6-7,10,15H,1H2,(H,17,18)(H,11,12,16)/t4-,6-,7-,10-/m1/s1 |
| InChI Key | DMJWGQPYNRPLGA-KQYNXXCUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C10H11N4O7P |
| Molecular Weight | 330.19 g/mol |
| Exact Mass | 330.03653570 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | -2.80 |
| There are no found synonyms. |
![2D Structure of 9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3H-purin-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/dacfd920-85b0-11ee-a7ce-191cf1054044.jpg "2D Structure of 9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3H-purin-6-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 |
|---|---|---|---|---|
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 96.90% | 95.48% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.69% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.18% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.08% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.97% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.61% | 96.09% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 89.30% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.36% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.10% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.66% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.41% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.22% | 95.89% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 84.00% | 88.84% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.90% | 85.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.26% | 90.71% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 81.85% | 80.71% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.08% | 88.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.89% | 90.08% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.20% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 19069 |
| LOTUS | LTS0137334 |
| wikiData | Q27103185 |