1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one
| Internal ID | 081e1714-8bfa-4cb5-8d60-fe4555d3c030 |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Cytisine and derivatives |
| IUPAC Name | (1S,9R)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one |
| SMILES (Canonical) | C1C2CNCC1C3=CC=CC(=O)N3C2 |
| SMILES (Isomeric) | C1[C@@H]2CNC[C@H]1C3=CC=CC(=O)N3C2 |
| InChI | InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m1/s1 |
| InChI Key | ANJTVLIZGCUXLD-BDAKNGLRSA-N |
| Popularity | 488 references in papers |
| Molecular Formula | C11H14N2O |
| Molecular Weight | 190.24 g/mol |
| Exact Mass | 190.110613074 g/mol |
| Topological Polar Surface Area (TPSA) | 32.30 Ų |
| XlogP | 0.20 |
| (-)-Cytisine |
| (1S,5R)-1,2,3,4,5,6-Hexahydro-8h-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| (+)-Cytisine |
| SCHEMBL12214109 |
| DTXSID501140305 |
| AMY25688 |
| LSM-22634 |
| 1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2- a ][1,5]diazocin-8-one |
| AKOS023412126 |
| FS-1914 |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of 1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/123456-hexahydro-15-methano-pyrido12-a15diazocin-8-one.jpg "2D Structure of 1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL1907588 | P02708 | Acetylcholine receptor; alpha1/beta1/delta/gamma |
11 nM |
EC50 |
via Super-PRED
|
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 |
280 nM |
Ki |
via Super-PRED
|
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 |
0.23 nM |
Ki |
via Super-PRED
|
| CHEMBL1293235 | P02545 | Prelamin-A/C |
63.1 nM |
Potency |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.11% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.48% | 98.95% |
| CHEMBL222 | P23975 | Norepinephrine transporter | 94.40% | 96.06% |
| CHEMBL228 | P31645 | Serotonin transporter | 94.28% | 95.51% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.08% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.41% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.22% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.99% | 99.23% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.81% | 93.40% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.10% | 82.69% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.90% | 96.25% |
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 | 81.82% | 97.98% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.38% | 94.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.09% | 97.25% |
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 | 683511 |
| LOTUS | LTS0054644 |
| wikiData | Q104915184 |