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]-2-amino-3H-purin-6-one
| Internal ID | c005179c-a7cd-4d4d-bd5c-5e5eb8dafd28 |
| 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]-2-amino-3H-purin-6-one |
| SMILES (Canonical) | C1C2C(C(C(O2)N3C=NC4=C3NC(=NC4=O)N)O)OP(=O)(O1)O |
| SMILES (Isomeric) | C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3NC(=NC4=O)N)O)OP(=O)(O1)O |
| InChI | InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(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 | ZOOGRGPOEVQQDX-UUOKFMHZSA-N |
| Popularity | 27 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-[(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]-2-amino-3H-purin-6-one](https://plantaedb.com/storage/docs/compounds/2023/07/b501d9d0-24fc-11ee-9930-d5cfe5dc9dde.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]-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 |
|---|---|---|---|---|
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 97.85% | 95.48% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.80% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.22% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.61% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.05% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.39% | 97.09% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 89.68% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.71% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.12% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.74% | 94.73% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.57% | 92.94% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.27% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.01% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.40% | 89.00% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 82.33% | 80.71% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 81.91% | 80.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.75% | 100.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.71% | 93.10% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 81.27% | 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.
| Isodon rubescens |
| Pelargonium sidoides |
| Phaseolus vulgaris |
| Ziziphus jujuba |
| PubChem | 24316 |
| NPASS | NPC274384 |
| ChEMBL | CHEMBL395336 |
| LOTUS | LTS0018629 |
| wikiData | Q422511 |