N-[2-hydroxy-2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]-3-phenylprop-2-enamide
| Internal ID | 632d417c-c8a3-4933-94bf-c126b70b64ab |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acid amides |
| IUPAC Name | N-[2-hydroxy-2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]-3-phenylprop-2-enamide |
| SMILES (Canonical) | CC(=CCOC1=CC=C(C=C1)C(CNC(=O)C=CC2=CC=CC=C2)O)C |
| SMILES (Isomeric) | CC(=CCOC1=CC=C(C=C1)C(CNC(=O)C=CC2=CC=CC=C2)O)C |
| InChI | InChI=1S/C22H25NO3/c1-17(2)14-15-26-20-11-9-19(10-12-20)21(24)16-23-22(25)13-8-18-6-4-3-5-7-18/h3-14,21,24H,15-16H2,1-2H3,(H,23,25) |
| InChI Key | AQBWTILJYRVPPH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H25NO3 |
| Molecular Weight | 351.40 g/mol |
| Exact Mass | 351.18344366 g/mol |
| Topological Polar Surface Area (TPSA) | 58.60 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of N-[2-hydroxy-2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]-3-phenylprop-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-2-hydroxy-2-4-3-methylbut-2-enoxyphenylethyl-3-phenylprop-2-enamide.jpg "2D Structure of N-[2-hydroxy-2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]-3-phenylprop-2-enamide")
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.68% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.54% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.64% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.30% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.16% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.63% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.18% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.82% | 94.73% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 91.12% | 93.81% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.59% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.44% | 95.56% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 88.26% | 89.67% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.60% | 94.62% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 84.46% | 81.11% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 81.61% | 89.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.24% | 95.50% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 80.93% | 92.51% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.49% | 100.00% |
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.
| Aegle marmelos |
| Erythrina addisoniae |
| PubChem | 162892089 |
| LOTUS | LTS0224038 |
| wikiData | Q105219373 |