(-)-N-(3-Oxobutyl)cytisine
AlkaPlorer ID: AK186057
Synonym: 'N-(3-Oxobutyl)cytisine'
IUPAC Name: (1R,9S)-11-(3-oxobutyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Structure
SMILES: CC(=O)CCN1C[C@@H]2C[C@H](C1)C1=CC=CC(=O)N1C2
InChI: InChI=1S/C15H20N2O2/c1-11(18)5-6-16-8-12-7-13(10-16)14-3-2-4-15(19)17(14)9-12/h2-4,12-13H,5-10H2,1H3/t12-,13+/m0/s1
InChIKey: XXSOVMSTJJYBOO-QWHCGFSZSA-N
Reference
Lupin Alkaloids from Chinese Maackia Hupehensis.
PubChem CID: 44398032
LOTUS: LTS0118270
SuperNatural Ⅲ: SN0442910-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Echinosophora koreensis | Echinosophora | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 260.33700000000005
TPSA？: 42.31
MolLogP？: 1.2465
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Neuronal acetylcholine receptor; alpha3/beta4 | Rmax | 11.0 | % | 10.1021/jm040219e |
| Homo sapiens | Neuronal acetylcholine receptor; alpha4/beta2 | Rmax | 3.0 | % | 10.1021/jm040219e |
| Rattus norvegicus | Neuronal acetylcholine receptor; alpha4/beta2 | Ki | 3.2 | nM | 10.1021/jm900225j |
| Rattus norvegicus | Neuronal acetylcholine receptor; alpha4/beta2 | Ki | 8.7 | nM | 10.1021/jm900225j |
| Rattus norvegicus | Neuronal acetylcholine receptor protein alpha-7 subunit | Ki | 1240.0 | nM | 10.1021/jm900225j |
| Rattus norvegicus | Neuronal acetylcholine receptor protein alpha-7 subunit | Rmax | 100.0 | % | 10.1021/jm040219e |