(2S)-3-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]propanamide
| Internal ID | 641ac40a-0b3c-467e-ae24-bf24f2a0978c |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Styrenes |
| IUPAC Name | (2S)-3-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]propanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H24N2O3/c1-14(13-20)17(22)19-12-6-5-11-18-16(21)10-9-15-7-3-2-4-8-15/h2-4,7-10,14,20H,5-6,11-13H2,1H3,(H,18,21)(H,19,22)/b10-9+/t14-/m0/s1 |
| InChI Key | YDWIIBRQNZACSH-HBWSCVEGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H24N2O3 |
| Molecular Weight | 304.40 g/mol |
| Exact Mass | 304.17869263 g/mol |
| Topological Polar Surface Area (TPSA) | 78.40 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of (2S)-3-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]propanamide](https://plantaedb.com/storage/docs/compounds/2023/11/2s-3-hydroxy-2-methyl-n-4-e-3-phenylprop-2-enoylaminobutylpropanamide.jpg "2D Structure of (2S)-3-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]propanamide")
| 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 | 98.78% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.58% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.58% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.22% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.51% | 95.56% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 89.95% | 89.67% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.28% | 83.82% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.83% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 87.28% | 97.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.21% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.47% | 99.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.19% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.64% | 94.73% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 83.71% | 92.97% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.93% | 93.56% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 81.91% | 96.67% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.58% | 90.17% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 81.33% | 89.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.52% | 95.50% |
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 spectabilis |
| PubChem | 163193968 |
| LOTUS | LTS0111990 |
| wikiData | Q105347069 |