(8R)-8-tetradecyl-1,5,9,13-tetrazacycloheptadecan-6-one
| Internal ID | 059826f1-c528-46bf-a517-f48d2739cb4c |
| Taxonomy | Organic acids and derivatives > Carboximidic acids and derivatives > Carboximidic acids > Cyclic carboximidic acids |
| IUPAC Name | (8R)-8-tetradecyl-1,5,9,13-tetrazacycloheptadecan-6-one |
| SMILES (Canonical) | CCCCCCCCCCCCCCC1CC(=O)NCCCNCCCCNCCCN1 |
| SMILES (Isomeric) | CCCCCCCCCCCCCC[C@@H]1CC(=O)NCCCNCCCCNCCCN1 |
| InChI | InChI=1S/C27H56N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-26-25-27(32)31-24-17-22-29-20-15-14-19-28-21-16-23-30-26/h26,28-30H,2-25H2,1H3,(H,31,32)/t26-/m1/s1 |
| InChI Key | DBMJHZVVGFZEDY-AREMUKBSSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H56N4O |
| Molecular Weight | 452.80 g/mol |
| Exact Mass | 452.44541242 g/mol |
| Topological Polar Surface Area (TPSA) | 65.20 Ų |
| XlogP | 6.70 |
| 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 | 98.77% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.68% | 89.63% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.47% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 94.56% | 97.79% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.14% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.86% | 96.09% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 91.11% | 94.55% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 90.14% | 90.08% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 89.96% | 90.24% |
| CHEMBL228 | P31645 | Serotonin transporter | 89.79% | 95.51% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.57% | 98.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.44% | 91.11% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.82% | 91.81% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 86.21% | 92.97% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 85.77% | 97.05% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.03% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.94% | 93.99% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.89% | 95.50% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.46% | 92.88% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.40% | 94.45% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.40% | 97.29% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.45% | 92.50% |
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 adinocephala |
| PubChem | 163038306 |
| LOTUS | LTS0239850 |
| wikiData | Q104974554 |