(2S)-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]butanamide
| Internal ID | 31a6d6ae-64bc-49cd-a7f7-f1021ced6476 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Styrenes |
| IUPAC Name | (2S)-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]butanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H26N2O2/c1-3-15(2)18(22)20-14-8-7-13-19-17(21)12-11-16-9-5-4-6-10-16/h4-6,9-12,15H,3,7-8,13-14H2,1-2H3,(H,19,21)(H,20,22)/b12-11+/t15-/m0/s1 |
| InChI Key | NGCDCAZRAVJIKV-RUMSDORHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H26N2O2 |
| Molecular Weight | 302.40 g/mol |
| Exact Mass | 302.199428076 g/mol |
| Topological Polar Surface Area (TPSA) | 58.20 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (2S)-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]butanamide](https://plantaedb.com/storage/docs/compounds/2023/11/2s-2-methyl-n-4-e-3-phenylprop-2-enoylaminobutylbutanamide.jpg "2D Structure of (2S)-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]butanamide")
| 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 | 99.10% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.61% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.92% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.49% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.53% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.27% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.46% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.95% | 86.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.69% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.59% | 94.73% |
| CHEMBL5028 | O14672 | ADAM10 | 86.23% | 97.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.73% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.62% | 93.56% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 83.40% | 96.67% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 81.09% | 89.67% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.89% | 95.50% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 80.25% | 89.33% |
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.
| Aglaia gracilis |
| PubChem | 9972175 |
| LOTUS | LTS0128672 |
| wikiData | Q105178834 |