N-[3-[4-formamidobutyl-[(E)-3-phenylprop-2-enoyl]amino]propyl]benzamide
| Internal ID | 77a19168-dfd9-46b1-88a3-6f8ccce936b0 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives |
| IUPAC Name | N-[3-[4-formamidobutyl-[(E)-3-phenylprop-2-enoyl]amino]propyl]benzamide |
| SMILES (Canonical) | C1=CC=C(C=C1)C=CC(=O)N(CCCCNC=O)CCCNC(=O)C2=CC=CC=C2 |
| SMILES (Isomeric) | C1=CC=C(C=C1)/C=C/C(=O)N(CCCCNC=O)CCCNC(=O)C2=CC=CC=C2 |
| InChI | InChI=1S/C24H29N3O3/c28-20-25-16-7-8-18-27(23(29)15-14-21-10-3-1-4-11-21)19-9-17-26-24(30)22-12-5-2-6-13-22/h1-6,10-15,20H,7-9,16-19H2,(H,25,28)(H,26,30)/b15-14+ |
| InChI Key | IGTCYLQHMDCGHA-CCEZHUSRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H29N3O3 |
| Molecular Weight | 407.50 g/mol |
| Exact Mass | 407.22089180 g/mol |
| Topological Polar Surface Area (TPSA) | 78.50 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of N-[3-[4-formamidobutyl-[(E)-3-phenylprop-2-enoyl]amino]propyl]benzamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-3-4-formamidobutyl-e-3-phenylprop-2-enoylaminopropylbenzamide.jpg "2D Structure of N-[3-[4-formamidobutyl-[(E)-3-phenylprop-2-enoyl]amino]propyl]benzamide")
| 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 |
|---|---|---|---|---|
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 94.81% | 85.31% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 94.73% | 87.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.14% | 98.95% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 93.81% | 96.67% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.28% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.13% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.96% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.14% | 95.56% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 89.78% | 81.11% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 89.73% | 89.67% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.64% | 90.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.14% | 90.00% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 88.06% | 89.33% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.08% | 90.24% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.83% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.82% | 91.11% |
| CHEMBL5028 | O14672 | ADAM10 | 86.45% | 97.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.02% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.31% | 96.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.62% | 100.00% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 81.99% | 93.81% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.45% | 96.37% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.02% | 89.34% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.82% | 90.20% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.48% | 93.00% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 80.42% | 95.00% |
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.
| Chisocheton lasiocarpus |
| PubChem | 12094609 |
| LOTUS | LTS0079494 |
| wikiData | Q105112805 |