methyl (1S,2R,9S,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate
| Internal ID | 941ad39b-14f7-4a15-9180-d6d270460701 |
| Taxonomy | Organoheterocyclic compounds > Quinolizidines > Quinolizidinones |
| IUPAC Name | methyl (1S,2R,9S,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate |
| SMILES (Canonical) | COC(=O)N1CC2CC(C1CC=C)CN3C2CCCC3=O |
| SMILES (Isomeric) | COC(=O)N1C[C@@H]2C[C@H]([C@@H]1CC=C)CN3[C@@H]2CCCC3=O |
| InChI | InChI=1S/C16H24N2O3/c1-3-5-13-11-8-12(10-18(13)16(20)21-2)14-6-4-7-15(19)17(14)9-11/h3,11-14H,1,4-10H2,2H3/t11-,12-,13-,14+/m0/s1 |
| InChI Key | SNVJEHVKQNQUBG-XDQVBPFNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H24N2O3 |
| Molecular Weight | 292.37 g/mol |
| Exact Mass | 292.17869263 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of methyl (1S,2R,9S,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-1s2r9s10s-6-oxo-10-prop-2-enyl-711-diazatricyclo731027tridecane-11-carboxylate.jpg "2D Structure of methyl (1S,2R,9S,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.43% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.07% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.55% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.58% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.02% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 89.96% | 94.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.61% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.25% | 97.25% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 87.51% | 94.66% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 85.65% | 97.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.40% | 94.45% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.64% | 93.03% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.54% | 93.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.49% | 90.71% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.36% | 91.24% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.94% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.45% | 99.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.94% | 91.07% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.26% | 95.71% |
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.
| Lupinus polyphyllus |
| PubChem | 101638794 |
| LOTUS | LTS0047126 |
| wikiData | Q105256709 |