1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-acetic acid, 1,5,6,8-tetrahydro-8-oxo-, ethyl ester, (1R)-
| Internal ID | 09c9a332-db60-448d-a5ba-4f4a6145dd77 |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Cytisine and derivatives |
| IUPAC Name | ethyl 2-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetate |
| SMILES (Canonical) | CCOC(=O)CN1CC2CC(C1)C3=CC=CC(=O)N3C2 |
| SMILES (Isomeric) | CCOC(=O)CN1C[C@@H]2C[C@H](C1)C3=CC=CC(=O)N3C2 |
| InChI | InChI=1S/C15H20N2O3/c1-2-20-15(19)10-16-7-11-6-12(9-16)13-4-3-5-14(18)17(13)8-11/h3-5,11-12H,2,6-10H2,1H3/t11-,12+/m0/s1 |
| InChI Key | LNGPXKWQLHVKQN-NWDGAFQWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20N2O3 |
| Molecular Weight | 276.33 g/mol |
| Exact Mass | 276.14739250 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 0.90 |
| 1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-acetic acid, 1,5,6,8-tetrahydro-8-oxo-, ethyl ester, (1R)- |
| 99964-82-6 |
![2D Structure of 1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-acetic acid, 1,5,6,8-tetrahydro-8-oxo-, ethyl ester, (1R)-](https://plantaedb.com/storage/docs/compounds/2023/11/f08c3ef0-87bd-11ee-ab9a-b329577da173.jpg "2D Structure of 1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-acetic acid, 1,5,6,8-tetrahydro-8-oxo-, ethyl ester, (1R)-")
| 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 | 97.60% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.33% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.92% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.17% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.13% | 95.56% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.84% | 89.63% |
| CHEMBL1907588 | P02708 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 86.46% | 98.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.52% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.16% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.93% | 94.45% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.67% | 93.03% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.95% | 97.21% |
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 koreensis |
| PubChem | 1801368 |
| LOTUS | LTS0053077 |
| wikiData | Q105154331 |