Methyl (1R,5S)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-acetate
| Internal ID | 60f08b6e-2e54-4c45-8b79-669d9266df7c |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Cytisine and derivatives |
| IUPAC Name | methyl 2-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetate |
| SMILES (Canonical) | COC(=O)CN1CC2CC(C1)C3=CC=CC(=O)N3C2 |
| SMILES (Isomeric) | COC(=O)CN1C[C@@H]2C[C@H](C1)C3=CC=CC(=O)N3C2 |
| InChI | InChI=1S/C14H18N2O3/c1-19-14(18)9-15-6-10-5-11(8-15)12-3-2-4-13(17)16(12)7-10/h2-4,10-11H,5-9H2,1H3/t10-,11+/m0/s1 |
| InChI Key | ZKPHYUDUHAIMCK-WDEREUQCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H18N2O3 |
| Molecular Weight | 262.30 g/mol |
| Exact Mass | 262.13174244 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 0.60 |
| 72362-05-1 |
| Methyl (1R,5S)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-acetate |
![2D Structure of Methyl (1R,5S)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-acetate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-1r5s-1568-tetrahydro-8-oxo-15-methano-2h-pyrido12-a15diazocine-34h-acetate.jpg "2D Structure of Methyl (1R,5S)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.37% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.32% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.18% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.45% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.06% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.85% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.70% | 97.09% |
| CHEMBL1907588 | P02708 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 86.10% | 98.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.82% | 93.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.51% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.76% | 99.23% |
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 | 6351768 |
| LOTUS | LTS0222656 |
| wikiData | Q105378619 |