(8R)-1,13-dimethyl-8-undecyl-1,5,9,13-tetrazacycloheptadecan-6-one
| Internal ID | 5cb90d35-337d-48d3-82b5-9319d9959f89 |
| Taxonomy | Organic acids and derivatives > Carboximidic acids and derivatives > Carboximidic acids > Cyclic carboximidic acids |
| IUPAC Name | (8R)-1,13-dimethyl-8-undecyl-1,5,9,13-tetrazacycloheptadecan-6-one |
| SMILES (Canonical) | CCCCCCCCCCCC1CC(=O)NCCCN(CCCCN(CCCN1)C)C |
| SMILES (Isomeric) | CCCCCCCCCCC[C@@H]1CC(=O)NCCCN(CCCCN(CCCN1)C)C |
| InChI | InChI=1S/C26H54N4O/c1-4-5-6-7-8-9-10-11-12-17-25-24-26(31)28-19-16-23-30(3)21-14-13-20-29(2)22-15-18-27-25/h25,27H,4-24H2,1-3H3,(H,28,31)/t25-/m1/s1 |
| InChI Key | BOANJIXVLGYHLA-RUZDIDTESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H54N4O |
| Molecular Weight | 438.70 g/mol |
| Exact Mass | 438.42976236 g/mol |
| Topological Polar Surface Area (TPSA) | 47.60 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
| 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 | 99.45% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.62% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.99% | 96.09% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 93.52% | 91.81% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 92.14% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.35% | 93.99% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 91.14% | 98.59% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.45% | 89.63% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.44% | 92.86% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.73% | 91.03% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 86.72% | 95.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.68% | 97.09% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 86.35% | 90.24% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 86.20% | 92.97% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.20% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.01% | 90.08% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.55% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.28% | 90.71% |
| CHEMBL228 | P31645 | Serotonin transporter | 84.03% | 95.51% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.28% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.97% | 95.56% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.30% | 82.38% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.71% | 93.03% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 80.71% | 97.64% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.22% | 99.23% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 80.20% | 80.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.17% | 93.00% |
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.
| Albizia amara |
| Albizia lebbeck |
| PubChem | 163025361 |
| LOTUS | LTS0206686 |
| wikiData | Q104939133 |