N-(5-aminopentyl)-N-hydroxy-N'-[5-(hydroxy{4-[(5-nitropentyl)amino]-4-oxobutanoyl}amino)pentyl]butanediamide
| Internal ID | 115d0f90-c8bf-4346-bc39-5581a5556f07 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines |
| IUPAC Name | N'-(5-aminopentyl)-N'-hydroxy-N-[5-[hydroxy-[4-(5-nitropentylamino)-4-oxobutanoyl]amino]pentyl]butanediamide |
| SMILES (Canonical) | C(CCN)CCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCC[N+](=O)[O-])O)O |
| SMILES (Isomeric) | C(CCN)CCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCC[N+](=O)[O-])O)O |
| InChI | InChI=1S/C23H44N6O8/c24-14-4-1-7-17-27(34)22(32)12-10-20(30)25-15-5-2-8-18-28(35)23(33)13-11-21(31)26-16-6-3-9-19-29(36)37/h34-35H,1-19,24H2,(H,25,30)(H,26,31) |
| InChI Key | BHNYEXHOBOECJW-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H44N6O8 |
| Molecular Weight | 532.60 g/mol |
| Exact Mass | 532.32206238 g/mol |
| Topological Polar Surface Area (TPSA) | 211.00 Ų |
| XlogP | -1.30 |
| N-(5-aminopentyl)-N-hydroxy-N'-[5-(hydroxy{4-[(5-nitropentyl)amino]-4-oxobutanoyl}amino)pentyl]butanediamide |
| CHEBI:66066 |
| LMFA08020183 |
| Q27134578 |
| N'-(5-aminopentyl)-N'-hydroxy-N-[5-[hydroxy-[4-(5-nitropentylamino)-4-oxobutanoyl]amino]pentyl]butanediamide |
![2D Structure of N-(5-aminopentyl)-N-hydroxy-N'-[5-(hydroxy{4-[(5-nitropentyl)amino]-4-oxobutanoyl}amino)pentyl]butanediamide](https://plantaedb.com/storage/docs/compounds/2023/11/548f83f0-85ea-11ee-a004-97d4716cc5ad.jpg "2D Structure of N-(5-aminopentyl)-N-hydroxy-N'-[5-(hydroxy{4-[(5-nitropentyl)amino]-4-oxobutanoyl}amino)pentyl]butanediamide")
| 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 |
|---|---|---|---|---|
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 95.96% | 90.24% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.15% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.59% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.97% | 98.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.81% | 90.20% |
| CHEMBL4578 | Q14680 | Maternal embryonic leucine zipper kinase | 90.06% | 81.58% |
| CHEMBL4237 | O75582 | Ribosomal protein S6 kinase alpha 5 | 88.37% | 91.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.25% | 97.21% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 88.08% | 93.10% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.78% | 97.29% |
| CHEMBL1974 | P36888 | Tyrosine-protein kinase receptor FLT3 | 87.14% | 91.83% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 86.32% | 91.38% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.25% | 94.33% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 86.03% | 96.67% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.96% | 90.17% |
| CHEMBL1250348 | P01106 | Myc proto-oncogene protein | 85.19% | 96.97% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 84.97% | 93.18% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 84.26% | 86.67% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 84.13% | 89.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.94% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.89% | 91.11% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 83.50% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.83% | 89.34% |
| CHEMBL2185 | Q96GD4 | Serine/threonine-protein kinase Aurora-B | 82.71% | 96.80% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 81.74% | 95.00% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 81.67% | 93.81% |
| CHEMBL5408 | Q9UHD2 | Serine/threonine-protein kinase TBK1 | 81.53% | 90.48% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.10% | 91.24% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 80.01% | 83.14% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 9828474 |
| LOTUS | LTS0062785 |
| wikiData | Q27134578 |