(2E,4E)-5-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one
| Internal ID | bc7bff77-a1e1-4430-94a1-abdae9a54473 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | (2E,4E)-5-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC=CC(=O)N2CCCCC2)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)/C=C/C=C/C(=O)N2CCCCC2)O |
| InChI | InChI=1S/C17H21NO3/c1-21-16-13-14(9-10-15(16)19)7-3-4-8-17(20)18-11-5-2-6-12-18/h3-4,7-10,13,19H,2,5-6,11-12H2,1H3/b7-3+,8-4+ |
| InChI Key | IUGIGWWOEYFTDM-FCXRPNKRSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H21NO3 |
| Molecular Weight | 287.35 g/mol |
| Exact Mass | 287.15214353 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 2.90 |
| SCHEMBL4912827 |
| CHEMBL4541178 |
| DTXSID801140916 |
| NSC-244597 |
| 77795-15-4 |
| 1-[(2E,4E)-5-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2,4-pentadien-1-yl]piperidine |
| 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 | 97.09% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.51% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.18% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.82% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.84% | 96.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.42% | 89.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.21% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.69% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.14% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.10% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.88% | 90.71% |
| CHEMBL3194 | P02766 | Transthyretin | 83.70% | 90.71% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.17% | 90.24% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.32% | 94.45% |
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.
| Piper nigrum |
| PubChem | 6290038 |
| LOTUS | LTS0138045 |
| wikiData | Q105120541 |