[(1R,2R,5R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl] acetate
| Internal ID | f7c228b4-8107-479e-80f1-cc6a9f98413f |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Matrine alkaloids |
| IUPAC Name | [(1R,2R,5R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1CCC2C3CCCN4C3C(CCC4)CN2C1=O |
| SMILES (Isomeric) | CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCCN4[C@H]3[C@@H](CCC4)CN2C1=O |
| InChI | InChI=1S/C17H26N2O3/c1-11(20)22-15-7-6-14-13-5-3-9-18-8-2-4-12(16(13)18)10-19(14)17(15)21/h12-16H,2-10H2,1H3/t12-,13+,14+,15+,16-/m0/s1 |
| InChI Key | HZLPPNUEKCCNEJ-GCSSGZNBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H26N2O3 |
| Molecular Weight | 306.40 g/mol |
| Exact Mass | 306.19434270 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of [(1R,2R,5R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/1r2r5r9s17s-6-oxo-713-diazatetracyclo77102701317heptadecan-5-yl-acetate.jpg "2D Structure of [(1R,2R,5R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl] acetate")
| 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 | 96.38% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.78% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.76% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.80% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.79% | 91.11% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.04% | 93.03% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.85% | 93.04% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.75% | 91.19% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.69% | 93.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.06% | 94.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.05% | 95.89% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 82.33% | 98.99% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.69% | 92.50% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.54% | 94.78% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.70% | 100.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.12% | 98.33% |
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.
| Sophora tonkinensis |
| PubChem | 10662446 |
| LOTUS | LTS0162549 |
| wikiData | Q105035751 |