General
Preferred name
QUINIC ACID
Synonyms
D-(-)-Quinic acid ()
Chinic acid ()
Kinic acid ()
Quinate ()
Chinic acid, Kinic acid ()
Rel-Quinic Acid ()
D-(?)-Quinic Acid ()
P&D ID
PD001962
CAS
77-95-2
36413-60-2
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 ]]
Compound Sets
5
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
41
Properties
(calculated by RDKit )
Molecular Weight
192.06
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
5
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
0
cLogP
-2.32
TPSA
118.22
Fraction CSP3
0.86
Chiral centers
2.0
Largest ring
6.0
QED
0.32
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
NF-¦ÊB
Source data
