cupreine
AlkaPlorer ID: AK005880
Synonym: 'Cupreine', "6'-Hydroxycinchonidine"
IUPAC Name: 4-[(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-ol
Structure
SMILES: C=C[C@H]1CN2CCC1C[C@H]2[C@H](O)C1=CC=NC2=CC=C(O)C=C12
InChI: InChI=1S/C19H22N2O2/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17/h2-5,7,10,12-13,18-19,22-23H,1,6,8-9,11H2/t12-,13?,18-,19+/m0/s1
InChIKey: VJFMSYZSFUWQPZ-BPBOJLQBSA-N
Reference
Quinine- and quinicine-derived alkaloids from Guettarda noumeana
PubChem CID: 441075
LOTUS: LTS0105129
NPASS: NPC242808
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cinchona calisaya | Cinchona | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Platycladus orientalis | Platycladus | Cupressaceae | Cupressales | Pinopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 310.39700000000005
TPSA？: 56.59
MolLogP？: 2.8702000000000014
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|