Cinchotoxine
AlkaPlorer ID: AK001037
Synonym: None
IUPAC Name: 3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-one
Structure
SMILES: C=C[C@H]1CNCC[C@H]1CCC(=O)C2=CC=NC3=CC=CC=C23
InChI: InChI=1S/C19H22N2O/c1-2-14-13-20-11-9-15(14)7-8-19(22)17-10-12-21-18-6-4-3-5-16(17)18/h2-6,10,12,14-15,20H,1,7-9,11,13H2/t14-,15+/m0/s1
InChIKey: PIIQLZXRLGJEKE-LSDHHAIUSA-N
Reference
Cinchona Alkaloids from Cinchona succirubra and Cinchona ledgeriana
PubChem CID: 3053309
CAS: 69-24-9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 294.398
TPSA？: 41.99
MolLogP？: 3.6094000000000026
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | EC50 | 1000.0 | ug.mL-1 | 10.1016/j.bmcl.2012.06.062 |
| Trichomonas vaginalis | Trichomonas vaginalis | MIC | nan | None | 10.1016/j.bmcl.2012.06.062 |
| None | ADMET | EC50 | 449.0 | ug.mL-1 | 10.1016/j.bmcl.2012.06.062 |
| None | Spermatozoa | Activity | 0.5 | % | 10.1016/j.bmcl.2012.06.062 |