(8R)-1,9,13-trimethyl-8-undecyl-1,5,9,13-tetrazacycloheptadecan-6-one
| Internal ID | 8483234f-1743-48b7-b0af-4378e2c527ee |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | (8R)-1,9,13-trimethyl-8-undecyl-1,5,9,13-tetrazacycloheptadecan-6-one |
| SMILES (Canonical) | CCCCCCCCCCCC1CC(=O)NCCCN(CCCCN(CCCN1C)C)C |
| SMILES (Isomeric) | CCCCCCCCCCC[C@@H]1CC(=O)NCCCN(CCCCN(CCCN1C)C)C |
| InChI | InChI=1S/C27H56N4O/c1-5-6-7-8-9-10-11-12-13-18-26-25-27(32)28-19-16-22-29(2)20-14-15-21-30(3)23-17-24-31(26)4/h26H,5-25H2,1-4H3,(H,28,32)/t26-/m1/s1 |
| InChI Key | HQMOQVLQJSZUTH-AREMUKBSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H56N4O |
| Molecular Weight | 452.80 g/mol |
| Exact Mass | 452.44541242 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 6.40 |
| 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 | 99.39% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.93% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.81% | 96.09% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 95.63% | 91.81% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 92.62% | 94.45% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 92.11% | 98.59% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.13% | 92.86% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.59% | 100.00% |
| CHEMBL228 | P31645 | Serotonin transporter | 89.18% | 95.51% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.67% | 91.03% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 87.70% | 95.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.45% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.43% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.04% | 90.08% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.02% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.55% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.43% | 93.00% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 85.19% | 90.24% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.81% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.80% | 90.71% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.14% | 82.38% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 81.37% | 91.76% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 81.28% | 97.64% |
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 lebbeck |
| Albizia schimperiana |
| PubChem | 11190230 |
| LOTUS | LTS0177970 |
| wikiData | Q105032310 |