3-[(3-Methylimidazol-4-yl)methyl]-1-phenylbut-3-en-1-one
| Internal ID | 0d689e8e-11bf-4b2b-843a-8d48e4f8dc95 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 3-[(3-methylimidazol-4-yl)methyl]-1-phenylbut-3-en-1-one |
| SMILES (Canonical) | CN1C=NC=C1CC(=C)CC(=O)C2=CC=CC=C2 |
| SMILES (Isomeric) | CN1C=NC=C1CC(=C)CC(=O)C2=CC=CC=C2 |
| InChI | InChI=1S/C15H16N2O/c1-12(8-14-10-16-11-17(14)2)9-15(18)13-6-4-3-5-7-13/h3-7,10-11H,1,8-9H2,2H3 |
| InChI Key | OHVFLECBSRKJTJ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H16N2O |
| Molecular Weight | 240.30 g/mol |
| Exact Mass | 240.126263138 g/mol |
| Topological Polar Surface Area (TPSA) | 34.90 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 3-[(3-Methylimidazol-4-yl)methyl]-1-phenylbut-3-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-3-methylimidazol-4-ylmethyl-1-phenylbut-3-en-1-one.jpg "2D Structure of 3-[(3-Methylimidazol-4-yl)methyl]-1-phenylbut-3-en-1-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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.66% | 90.17% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 91.36% | 81.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.48% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.63% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.73% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.29% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.63% | 90.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 83.59% | 97.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.02% | 96.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.25% | 100.00% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 80.86% | 93.81% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.07% | 99.17% |
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.
| Pilocarpus microphyllus |
| PubChem | 101452194 |
| LOTUS | LTS0221032 |
| wikiData | Q105192319 |