General
Preferred name
β-Glucogallin
Synonyms
1-O-Galloyl-β-D-glucose ()
beta-Glucogallin ()
1-O-Galloyl-¦Â-D-glucose ()
?-Glucogallin ()
¦Â-Glucogallin ()
P&D ID
PD165869
CAS
13405-60-2
554-37-0
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)
DESCRIPTION ¦Â-Glucogallin is an orally active and selective aldose reductase (AKR1B1) inhibitor with an IC50 value of 58 ¦ÌM when using Glyceraldehyde (HY-128748) as AKR1B1 substrate. ¦Â-Glucogallin reduces ROS, PDGF, RAGE, and NF-¦ÊB. ¦Â-Glucogallin increases SOD. ¦Â-Glucogallin has antioxidant and hepatoprotective effects. ¦Â-Glucogallin can be used in retinal research[1][2][3][4][5].
PRICE 146
DESCRIPTION beta-Glucogallin (beta-Glucogallin) is a selective aldose reductase (AKR1B1) inhibitor with antioxidant, anti-glycation, and anti-inflammatory properties. beta-Glucogallin is a naturally occurring compound derived from Emblica officinalis and is used in diabetes research. Vitamin B3-d4 (TargetMol Bioactive Compound Library)
Cell lines
0
Organisms
1
Compound Sets
3
Cayman Chemical Bioactives
36010
MedChem Express Bioactive Compound Library
HY-133708
TargetMol Bioactive Compound Library
T126022
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
332.07
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
7
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
1
cLogP
-2.24
TPSA
177.14
Fraction CSP3
0.46
Chiral centers
5.0
Largest ring
6.0
QED
0.24
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Aldose Reductase
NF-κB
PDGFR
Reactive Oxygen Species (ROS)
SOD
Reactive Oxygen Species
Pathway
Endocrinology/Hormones
Metabolism
Immunology/Inflammation
Metabolic Enzyme/Protease
Protein Tyrosine Kinase/RTK
NF-¦ÊB
Source data