General
Preferred name
Kinic acid
Synonyms
QUINIC ACID ()
Chinic acid ()
D-(-)-Quinic acid ()
P&D ID
PD056359
CAS
562-73-2
470-63-3
77-95-2
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 29
DESCRIPTION D-(-)-Quinic acid (Kinic acid) is a cellular metal ion chelator, capable of promoting reactions with metal M(II,III) ions under pH-specific conditions. It may possess potent inhibition against alpha-mannosidase and alpha-fucosidase. (TargetMol Bioactive Compound Library)
Compound Sets
1
TargetMol Bioactive Compound Library
External IDs
17
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
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Pathway
Metabolism
Source data