Quinicine; 9S-Alcohol, N1-Me
AlkaPlorer ID: AK312144
Synonym: N-Methylquinicinol
IUPAC Name: 3-(3-ethenyl-1-methylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-ol
Structure
SMILES: C=CC1CN(C)CCC1CCC(O)C1=CC=NC2=CC=C(OC)C=C12
InChI: InChI=1S/C21H28N2O2/c1-4-15-14-23(2)12-10-16(15)5-8-21(24)18-9-11-22-20-7-6-17(25-3)13-19(18)20/h4,6-7,9,11,13,15-16,21,24H,1,5,8,10,12,14H2,2-3H3
InChIKey: BJWGCMMVBBICEE-UHFFFAOYSA-N
Reference
Quinine- and quinicine-derived alkaloids from Guettarda noumeana
PubChem CID: 15581680
LOTUS: LTS0084632
COCONUT: CNP0269252.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Guettarda | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 340.4670000000001
TPSA？: 45.59
MolLogP？: 3.810900000000003
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|