(E,4S)-4-hydroxy-N-(2-methylpropyl)hex-2-enamide
| Internal ID | ae2a37f6-f5a5-461d-a9b3-374a66a8d599 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols |
| IUPAC Name | (E,4S)-4-hydroxy-N-(2-methylpropyl)hex-2-enamide |
| SMILES (Canonical) | CCC(C=CC(=O)NCC(C)C)O |
| SMILES (Isomeric) | CC[C@@H](/C=C/C(=O)NCC(C)C)O |
| InChI | InChI=1S/C10H19NO2/c1-4-9(12)5-6-10(13)11-7-8(2)3/h5-6,8-9,12H,4,7H2,1-3H3,(H,11,13)/b6-5+/t9-/m0/s1 |
| InChI Key | CHVSACQEPFATBT-CYNONHLPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H19NO2 |
| Molecular Weight | 185.26 g/mol |
| Exact Mass | 185.141578849 g/mol |
| Topological Polar Surface Area (TPSA) | 49.30 Ų |
| XlogP | 1.40 |
| 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 | 96.77% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.75% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.55% | 97.29% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.52% | 89.34% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.99% | 100.00% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 83.94% | 80.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.94% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.62% | 93.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.90% | 97.25% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.52% | 100.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 82.01% | 83.10% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.01% | 85.14% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.00% | 95.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.35% | 99.17% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.09% | 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.
| Piper nigrum |
| PubChem | 12090207 |
| LOTUS | LTS0104554 |
| wikiData | Q104959377 |