1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(3-butenyl)-1,2,3,4,5,6-hexahydro-, (1R)-
| Internal ID | d74f0a2a-1d02-40db-af4b-8dc79d0fb3ca |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Cytisine and derivatives |
| IUPAC Name | 11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one |
| SMILES (Canonical) | C=CCCN1CC2CC(C1)C3=CC=CC(=O)N3C2 |
| SMILES (Isomeric) | C=CCCN1CC2CC(C1)C3=CC=CC(=O)N3C2 |
| InChI | InChI=1S/C15H20N2O/c1-2-3-7-16-9-12-8-13(11-16)14-5-4-6-15(18)17(14)10-12/h2,4-6,12-13H,1,3,7-11H2 |
| InChI Key | ZVTFRRVBMAUIQW-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H20N2O |
| Molecular Weight | 244.33 g/mol |
| Exact Mass | 244.157563266 g/mol |
| Topological Polar Surface Area (TPSA) | 23.60 Ų |
| XlogP | 1.80 |
| 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(3-butenyl)-1,2,3,4,5,6-hexahydro-, (1R)- |
| Rhombifolin |
| NoName_4007 |
| DTXSID70903357 |
| ZVTFRRVBMAUIQW-UHFFFAOYSA-N |
| 11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one |
| 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(3-butenyl)-1,2,3,4,5,6-hexahydro-, (1R-cis)- |
![2D Structure of 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(3-butenyl)-1,2,3,4,5,6-hexahydro-, (1R)-](https://plantaedb.com/storage/docs/compounds/2023/11/15-methano-8h-pyrido12-a15diazocin-8-one-3-3-butenyl-123456-hexahydro-1r-.jpg "2D Structure of 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(3-butenyl)-1,2,3,4,5,6-hexahydro-, (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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.85% | 95.56% |
| CHEMBL240 | Q12809 | HERG | 94.06% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.96% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.20% | 93.40% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.72% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.22% | 96.09% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 87.86% | 96.25% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.75% | 93.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.02% | 97.09% |
| CHEMBL228 | P31645 | Serotonin transporter | 84.68% | 95.51% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.03% | 82.69% |
| CHEMBL1907588 | P02708 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 83.96% | 98.33% |
| CHEMBL238 | Q01959 | Dopamine transporter | 81.99% | 95.88% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.31% | 86.33% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 80.58% | 81.29% |
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.
| PubChem | 547355 |
| LOTUS | LTS0179520 |
| wikiData | Q27108158 |