(E)-3-phenyl-1-[(2S,5S)-2,4,5-trimethylpiperazin-1-yl]prop-2-en-1-one
| Internal ID | c9b94a9c-a3c4-48a8-a28e-0084479094ca |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives |
| IUPAC Name | (E)-3-phenyl-1-[(2S,5S)-2,4,5-trimethylpiperazin-1-yl]prop-2-en-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H22N2O/c1-13-12-18(14(2)11-17(13)3)16(19)10-9-15-7-5-4-6-8-15/h4-10,13-14H,11-12H2,1-3H3/b10-9+/t13-,14-/m0/s1 |
| InChI Key | MIGGJPIAMPJCES-KYXFNPKGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H22N2O |
| Molecular Weight | 258.36 g/mol |
| Exact Mass | 258.173213330 g/mol |
| Topological Polar Surface Area (TPSA) | 23.60 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of (E)-3-phenyl-1-[(2S,5S)-2,4,5-trimethylpiperazin-1-yl]prop-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/e-3-phenyl-1-2s5s-245-trimethylpiperazin-1-ylprop-2-en-1-one.jpg "2D Structure of (E)-3-phenyl-1-[(2S,5S)-2,4,5-trimethylpiperazin-1-yl]prop-2-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.85% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.60% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.35% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.78% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.37% | 98.95% |
| CHEMBL5028 | O14672 | ADAM10 | 82.45% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.08% | 89.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.44% | 90.17% |
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.
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| There are no matching plants. |
| PubChem | 88711313 |
| LOTUS | LTS0130740 |
| wikiData | Q105164696 |