1-[5-[(1R,8S,9R)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone
| Internal ID | 20bc81db-93bc-4613-990a-9af72f1485aa |
| Taxonomy | Organoheterocyclic compounds > Quinolizidines |
| IUPAC Name | 1-[5-[(1R,8S,9R)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H35N3O/c1-4-8-21-19-13-18(14-23(21)3)20-10-5-6-12-25(20)22(19)17-9-7-11-24(15-17)16(2)26/h4,15,18-22H,1,5-14H2,2-3H3/t18-,19-,20?,21?,22-/m1/s1 |
| InChI Key | NGYQGPQSBNFVQF-WWOKZEJKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H35N3O |
| Molecular Weight | 357.50 g/mol |
| Exact Mass | 357.278012748 g/mol |
| Topological Polar Surface Area (TPSA) | 26.80 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of 1-[5-[(1R,8S,9R)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/8d722ec0-85cf-11ee-b545-35396c27595e.jpg "2D Structure of 1-[5-[(1R,8S,9R)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone")
| 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 | 98.70% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.32% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.64% | 98.95% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 92.61% | 83.57% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.52% | 95.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.16% | 93.04% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.64% | 93.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.50% | 93.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.31% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.94% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.85% | 82.69% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.62% | 98.33% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.91% | 94.78% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.76% | 97.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.28% | 95.50% |
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.
| There are no matching plants. |
| PubChem | 162855339 |
| LOTUS | LTS0113054 |
| wikiData | Q105179243 |