N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide
| Internal ID | ec0cf135-4ff1-4ec1-9f0c-c13bca9dc31d |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives |
| IUPAC Name | N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide |
| SMILES (Canonical) | C1=CC(=C(C=C1C=CC(=O)NCCCCN)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1C=CC(=O)NCCCCN)O)O |
| InChI | InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18) |
| InChI Key | KTZNZCYTXQYEHT-UHFFFAOYSA-N |
| Popularity | 25 references in papers |
| Molecular Formula | C13H18N2O3 |
| Molecular Weight | 250.29 g/mol |
| Exact Mass | 250.13174244 g/mol |
| Topological Polar Surface Area (TPSA) | 95.60 Ų |
| XlogP | 0.80 |
| N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide |
| (E)-N-Caffeoylputrescine |
| SCHEMBL1675934 |
| DTXSID60331448 |
| CHEBI:182693 |
| FT-0700696 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.77% | 91.11% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 95.03% | 90.24% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.86% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.60% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.14% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.23% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.92% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.89% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 88.12% | 90.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.12% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.61% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.51% | 90.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 84.31% | 96.12% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.99% | 100.00% |
| CHEMBL3788 | O00444 | Serine/threonine-protein kinase PLK4 | 81.84% | 83.65% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.39% | 94.45% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.73% | 93.18% |
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.
| Iochroma cyaneum |
| Nicotiana tabacum |
| Selaginella moellendorffii |
| Solanum tuberosum |
| PubChem | 439877 |
| LOTUS | LTS0162693 |
| wikiData | Q105330640 |