N-[4-[(3S)-3-benzoyl-5-methyl-2-oxo-1,5-diazocan-1-yl]butyl]benzamide
| Internal ID | 22258ff6-0f1b-4463-907c-7fef7a70ca63 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | N-[4-[(3S)-3-benzoyl-5-methyl-2-oxo-1,5-diazocan-1-yl]butyl]benzamide |
| SMILES (Canonical) | CN1CCCN(C(=O)C(C1)C(=O)C2=CC=CC=C2)CCCCNC(=O)C3=CC=CC=C3 |
| SMILES (Isomeric) | CN1CCCN(C(=O)[C@@H](C1)C(=O)C2=CC=CC=C2)CCCCNC(=O)C3=CC=CC=C3 |
| InChI | InChI=1S/C25H31N3O3/c1-27-16-10-18-28(17-9-8-15-26-24(30)21-13-6-3-7-14-21)25(31)22(19-27)23(29)20-11-4-2-5-12-20/h2-7,11-14,22H,8-10,15-19H2,1H3,(H,26,30)/t22-/m0/s1 |
| InChI Key | AYVZYNNBFYBXQY-QFIPXVFZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H31N3O3 |
| Molecular Weight | 421.50 g/mol |
| Exact Mass | 421.23654186 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of N-[4-[(3S)-3-benzoyl-5-methyl-2-oxo-1,5-diazocan-1-yl]butyl]benzamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-4-3s-3-benzoyl-5-methyl-2-oxo-15-diazocan-1-ylbutylbenzamide.jpg "2D Structure of N-[4-[(3S)-3-benzoyl-5-methyl-2-oxo-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 | 99.44% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.08% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.03% | 95.56% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 93.65% | 87.67% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.62% | 90.71% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 87.77% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.07% | 91.11% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.98% | 93.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.79% | 90.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.18% | 100.00% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 83.74% | 85.83% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.20% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.56% | 99.23% |
| CHEMBL5028 | O14672 | ADAM10 | 82.02% | 97.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.36% | 99.17% |
| CHEMBL5646 | Q6L5J4 | FML2_HUMAN | 81.29% | 100.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 80.54% | 81.11% |
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 macrocalyx |
| PubChem | 162892140 |
| LOTUS | LTS0201012 |
| wikiData | Q104921408 |