9-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-2-amino-3H-purin-6-one
| Internal ID | e924fd2d-8777-4089-b595-4894daa805e0 |
| Taxonomy | Nucleosides, nucleotides, and analogues > Purine nucleotides > Cyclic purine nucleotides > 2,3-cyclic purine nucleotides |
| IUPAC Name | 9-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-2-amino-3H-purin-6-one |
| SMILES (Canonical) | C1=NC2=C(N1C3C4C(C(O3)CO)OP(=O)(O4)O)NC(=NC2=O)N |
| SMILES (Isomeric) | C1=NC2=C(N1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)NC(=NC2=O)N |
| InChI | InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-6-5(3(1-16)20-9)21-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1 |
| InChI Key | UASRYODFRYWBRC-UUOKFMHZSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C10H12N5O7P |
| Molecular Weight | 345.21 g/mol |
| Exact Mass | 345.04743474 g/mol |
| Topological Polar Surface Area (TPSA) | 171.00 Ų |
| XlogP | -3.40 |
| There are no found synonyms. |
![2D Structure of 9-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-2-amino-3H-purin-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/e69a8fb0-8709-11ee-b9d4-a75bcd4034d4.jpg "2D Structure of 9-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-2-amino-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.08% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.68% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.51% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.52% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.12% | 94.00% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 89.83% | 95.48% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.39% | 86.92% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.94% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.94% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.45% | 95.56% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 85.19% | 97.00% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 82.23% | 80.71% |
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 |
| PubChem | 92823 |
| LOTUS | LTS0175228 |
| wikiData | Q27103546 |