Methyl 5-(6-aminopurin-9-yl)-1-hydroxy-4-methoxy-13-oxo-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate
| Internal ID | 32102d4d-b15c-487f-8022-4630ce79ddfc |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Glycosylamines |
| IUPAC Name | methyl 5-(6-aminopurin-9-yl)-1-hydroxy-4-methoxy-13-oxo-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate |
| SMILES (Canonical) | COC1C2C(CC3C(O2)(C(=O)CC(O3)C(=O)OC)O)OC1N4C=NC5=C(N=CN=C54)N |
| SMILES (Isomeric) | COC1C2C(CC3C(O2)(C(=O)CC(O3)C(=O)OC)O)OC1N4C=NC5=C(N=CN=C54)N |
| InChI | InChI=1S/C18H21N5O8/c1-27-13-12-7(30-16(13)23-6-22-11-14(19)20-5-21-15(11)23)4-10-18(26,31-12)9(24)3-8(29-10)17(25)28-2/h5-8,10,12-13,16,26H,3-4H2,1-2H3,(H2,19,20,21) |
| InChI Key | DVKNAPSPUAABNS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H21N5O8 |
| Molecular Weight | 435.40 g/mol |
| Exact Mass | 435.13901265 g/mol |
| Topological Polar Surface Area (TPSA) | 170.00 Ų |
| XlogP | -1.90 |
| There are no found synonyms. |
![2D Structure of Methyl 5-(6-aminopurin-9-yl)-1-hydroxy-4-methoxy-13-oxo-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/ac077b20-86bb-11ee-a5d1-c5ac811156f3.jpg "2D Structure of Methyl 5-(6-aminopurin-9-yl)-1-hydroxy-4-methoxy-13-oxo-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.72% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.70% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.63% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.52% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.43% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.18% | 91.11% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 89.27% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.49% | 97.09% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 87.40% | 97.53% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.22% | 95.56% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.94% | 89.63% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 85.52% | 95.48% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 85.31% | 94.42% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 84.86% | 80.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.36% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.27% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.03% | 90.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.27% | 96.90% |
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 | 163061735 |
| LOTUS | LTS0240299 |
| wikiData | Q103818731 |