General
Preferred name
quinine
Synonyms
quinidine ()
Quinidine sulfate dihydrate ()
Chinidin Sodium ()
Pitayine Sodium ()
??-quinine Sodium ()
Quinidine sulfate ()
Quinine bimuriate ()
QUININE DIHYDROCHLORIDE ()
P&D ID
PD055477
CAS
6591-63-5
60-93-5
56-54-2
130-95-0
747-45-5
7778-93-0
Tags
natural product
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
46
Properties
(calculated by RDKit )
Molecular Weight
324.18
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
5
Aromatic Ring Count
2
cLogP
3.17
TPSA
45.59
Fraction CSP3
0.45
Chiral centers
5.0
Largest ring
6.0
QED
0.88
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Target
CYP450
Source data
