N-[4-(2-oxo-4-phenyl-1,5-diazocan-1-yl)butyl]benzamide
| Internal ID | 415d2292-f786-4730-88b0-38a5a37c87b6 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Amino acids and derivatives > Beta amino acids and derivatives |
| IUPAC Name | N-[4-(2-oxo-4-phenyl-1,5-diazocan-1-yl)butyl]benzamide |
| SMILES (Canonical) | C1CNC(CC(=O)N(C1)CCCCNC(=O)C2=CC=CC=C2)C3=CC=CC=C3 |
| SMILES (Isomeric) | C1CNC(CC(=O)N(C1)CCCCNC(=O)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChI | InChI=1S/C23H29N3O2/c27-22-18-21(19-10-3-1-4-11-19)24-15-9-17-26(22)16-8-7-14-25-23(28)20-12-5-2-6-13-20/h1-6,10-13,21,24H,7-9,14-18H2,(H,25,28) |
| InChI Key | XMSVRBIVBUEBCF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H29N3O2 |
| Molecular Weight | 379.50 g/mol |
| Exact Mass | 379.22597718 g/mol |
| Topological Polar Surface Area (TPSA) | 61.40 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of N-[4-(2-oxo-4-phenyl-1,5-diazocan-1-yl)butyl]benzamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-4-2-oxo-4-phenyl-15-diazocan-1-ylbutylbenzamide.jpg "2D Structure of N-[4-(2-oxo-4-phenyl-1,5-diazocan-1-yl)butyl]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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.34% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.14% | 96.09% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 92.89% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.32% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.83% | 90.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.66% | 90.00% |
| CHEMBL228 | P31645 | Serotonin transporter | 89.02% | 95.51% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.94% | 91.11% |
| CHEMBL5028 | O14672 | ADAM10 | 86.04% | 97.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.99% | 86.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.30% | 93.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.93% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.48% | 93.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.42% | 90.71% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 81.95% | 87.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.89% | 99.23% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 81.65% | 80.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.09% | 100.00% |
| CHEMBL5646 | Q6L5J4 | FML2_HUMAN | 80.65% | 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.
| Dovyalis abyssinica |
| PubChem | 73238324 |
| LOTUS | LTS0087248 |
| wikiData | Q105331410 |