Acremolin
| Internal ID | fa729be7-f0a5-4e9f-a314-fa4635ebadde |
| Taxonomy | Organoheterocyclic compounds > Imidazopyrimidines > Purines and purine derivatives > Purinones > Hypoxanthines |
| IUPAC Name | 1-methyl-2-(2-propan-2-ylazirin-1-yl)-7H-purin-6-one |
| SMILES (Canonical) | CC(C)C1=CN1C2=NC3=C(C(=O)N2C)NC=N3 |
| SMILES (Isomeric) | CC(C)C1=CN1C2=NC3=C(C(=O)N2C)NC=N3 |
| InChI | InChI=1S/C11H13N5O/c1-6(2)7-4-16(7)11-14-9-8(12-5-13-9)10(17)15(11)3/h4-6H,1-3H3,(H,12,13) |
| InChI Key | JHSAOVNIXNGOCW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C11H13N5O |
| Molecular Weight | 231.25 g/mol |
| Exact Mass | 231.11201006 g/mol |
| Topological Polar Surface Area (TPSA) | 64.40 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.59% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.36% | 94.75% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.44% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.52% | 95.56% |
| CHEMBL2424504 | P29375 | Lysine-specific demethylase 5A | 91.33% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.16% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.11% | 94.00% |
| CHEMBL290 | Q13370 | Phosphodiesterase 3B | 87.79% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.02% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.69% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.67% | 85.14% |
| CHEMBL4072 | P07858 | Cathepsin B | 85.71% | 93.67% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.55% | 90.08% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 82.20% | 95.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.27% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.97% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.93% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.69% | 90.71% |
| CHEMBL5500 | Q92831 | Histone acetyltransferase PCAF | 80.52% | 91.96% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.13% | 96.67% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.08% | 94.42% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.01% | 98.59% |
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 | 60144918 |
| LOTUS | LTS0238355 |
| wikiData | Q77425329 |