(1S,2R,9R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
| Internal ID | a641bc6a-3606-4bdb-bbea-d054b55b39d2 |
| Taxonomy | Organoheterocyclic compounds > Quinolizidines > Quinolizidinones |
| IUPAC Name | (1S,2R,9R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one |
| SMILES (Canonical) | CN1CC2CC(C1)C3CCCC(=O)N3C2 |
| SMILES (Isomeric) | CN1C[C@H]2C[C@@H](C1)[C@H]3CCCC(=O)N3C2 |
| InChI | InChI=1S/C12H20N2O/c1-13-6-9-5-10(8-13)11-3-2-4-12(15)14(11)7-9/h9-11H,2-8H2,1H3/t9-,10+,11-/m1/s1 |
| InChI Key | ONDDMIQCYQALKD-OUAUKWLOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H20N2O |
| Molecular Weight | 208.30 g/mol |
| Exact Mass | 208.157563266 g/mol |
| Topological Polar Surface Area (TPSA) | 23.60 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of (1S,2R,9R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s2r9r-11-methyl-711-diazatricyclo731027tridecan-6-one.jpg "2D Structure of (1S,2R,9R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 |
34 nM |
Ki |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 94.78% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.07% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.03% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.30% | 95.56% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 89.06% | 97.05% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.87% | 90.71% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 88.54% | 94.78% |
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 | 87.47% | 97.98% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.58% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.51% | 95.89% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.96% | 95.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.59% | 97.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.23% | 92.50% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 83.81% | 98.46% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 82.67% | 94.66% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 80.91% | 91.76% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 80.28% | 100.00% |
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.
| Ormosia indurata |
| PubChem | 162873075 |
| LOTUS | LTS0231189 |
| wikiData | Q105194594 |