6-amino-3-(3-methylbut-2-enyl)-7H-purin-2-one
| Internal ID | 8cda09b9-d7cc-4c3f-bac6-4984d126b521 |
| Taxonomy | Organoheterocyclic compounds > Imidazopyrimidines > Purines and purine derivatives > Purinones |
| IUPAC Name | 6-amino-3-(3-methylbut-2-enyl)-7H-purin-2-one |
| SMILES (Canonical) | CC(=CCN1C2=C(C(=NC1=O)N)NC=N2)C |
| SMILES (Isomeric) | CC(=CCN1C2=C(C(=NC1=O)N)NC=N2)C |
| InChI | InChI=1S/C10H13N5O/c1-6(2)3-4-15-9-7(12-5-13-9)8(11)14-10(15)16/h3,5H,4H2,1-2H3,(H,12,13)(H2,11,14,16) |
| InChI Key | NRLCDHJZKCDUMD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H13N5O |
| Molecular Weight | 219.24 g/mol |
| Exact Mass | 219.11201006 g/mol |
| Topological Polar Surface Area (TPSA) | 87.40 Ų |
| XlogP | 0.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.77% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.93% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.33% | 94.75% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.90% | 89.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.13% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.87% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.91% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.21% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.17% | 90.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.98% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.67% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.77% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.25% | 90.00% |
| CHEMBL4070 | P19784 | Casein kinase II alpha (prime) | 80.30% | 91.67% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.00% | 90.71% |
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.
| Phyllanthus reticulatus |
| PubChem | 72946545 |
| LOTUS | LTS0213827 |
| wikiData | Q105184636 |