Adeninylpyrenocine
| Internal ID | 941e995b-637d-43ec-ae2a-dc14dd265458 |
| Taxonomy | Organoheterocyclic compounds > Imidazopyrimidines > Purines and purine derivatives > 6-aminopurines |
| IUPAC Name | 5-[(3S)-3-(6-aminopurin-9-yl)butanoyl]-4-methoxy-6-methylpyran-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H17N5O4/c1-8(21-7-20-14-15(17)18-6-19-16(14)21)4-10(22)13-9(2)25-12(23)5-11(13)24-3/h5-8H,4H2,1-3H3,(H2,17,18,19)/t8-/m0/s1 |
| InChI Key | QOMKTVZWKWETOX-QMMMGPOBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H17N5O4 |
| Molecular Weight | 343.34 g/mol |
| Exact Mass | 343.12805404 g/mol |
| Topological Polar Surface Area (TPSA) | 122.00 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
| 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 | 98.51% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.69% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.43% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.59% | 86.33% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.49% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.54% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.67% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.17% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.70% | 96.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 89.64% | 93.65% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.35% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.11% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.81% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.78% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.73% | 99.17% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 85.39% | 95.39% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.84% | 90.00% |
| CHEMBL290 | Q13370 | Phosphodiesterase 3B | 83.18% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.84% | 90.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.43% | 95.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.13% | 91.11% |
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 | 146683052 |
| LOTUS | LTS0060611 |
| wikiData | Q105225000 |