Cytisine; N-Methoxycarbonyl
AlkaPlorer ID: AK294116
Synonym: 12-Methoxycarbonylcytisine
IUPAC Name: methyl 6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxylate
Structure
SMILES: COC(=O)N1CC2CC(C1)C1=CC=CC(=O)N1C2
InChI: InChI=1S/C13H16N2O3/c1-18-13(17)14-6-9-5-10(8-14)11-3-2-4-12(16)15(11)7-9/h2-4,9-10H,5-8H2,1H3
InChIKey: XPJCPQOVGUMVLU-UHFFFAOYSA-N
Reference
Quinolizidine alkaloids in Petteria ramentacea
PubChem CID: 4594004
CAS: 125109-97-9
LOTUS: LTS0128821
COCONUT: CNP0416620.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Leontice | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Petteria ramentacea | Petteria | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 248.282
TPSA？: 51.54
MolLogP？: 1.0337999999999998
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|