N-[4-[carbamimidoyl(3-methylbut-2-enyl)amino]butyl]acetamide
| Internal ID | 8b7bc2ef-e5b6-4e23-9fc1-f8a79c124ba0 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid amides > Acetamides |
| IUPAC Name | N-[4-[carbamimidoyl(3-methylbut-2-enyl)amino]butyl]acetamide |
| SMILES (Canonical) | CC(=CCN(CCCCNC(=O)C)C(=N)N)C |
| SMILES (Isomeric) | CC(=CCN(CCCCNC(=O)C)C(=N)N)C |
| InChI | InChI=1S/C12H24N4O/c1-10(2)6-9-16(12(13)14)8-5-4-7-15-11(3)17/h6H,4-5,7-9H2,1-3H3,(H3,13,14)(H,15,17) |
| InChI Key | ZOSKONQHHUEEMF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H24N4O |
| Molecular Weight | 240.35 g/mol |
| Exact Mass | 240.19501140 g/mol |
| Topological Polar Surface Area (TPSA) | 82.20 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of N-[4-[carbamimidoyl(3-methylbut-2-enyl)amino]butyl]acetamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-4-carbamimidoyl3-methylbut-2-enylaminobutylacetamide.jpg "2D Structure of N-[4-[carbamimidoyl(3-methylbut-2-enyl)amino]butyl]acetamide")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.27% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.20% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.51% | 91.11% |
| CHEMBL3959 | P16083 | Quinone reductase 2 | 88.74% | 89.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.78% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.82% | 99.17% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 86.11% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.03% | 97.29% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.18% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.25% | 91.19% |
| CHEMBL2185 | Q96GD4 | Serine/threonine-protein kinase Aurora-B | 82.79% | 96.80% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.65% | 96.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.84% | 89.34% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.99% | 93.10% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.22% | 96.90% |
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.
| Astragalus tibetanus |
| Galega orientalis |
| PubChem | 23620109 |
| LOTUS | LTS0266659 |
| wikiData | Q105380689 |