General
Preferred name
LIQUIRITIN
Synonyms
Liquiritigenin-4'-O-glucoside ()
Liquiritoside ()
Liquiritoside, Liquiritigenin-4'-O-glucoside ()
P&D ID
PD087251
CAS
551-15-5
100483-53-2
Tags
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()] ]]
Description
(extracted from source data)
DESCRIPTION
Liquiritin, a flavonoid isolated from Glycyrrhiza uralensis, is a potent and competitive AKR1C1 inhibitor with IC50s of 0.62 ¦ÌM, 0.61 ¦ÌM, and 3.72¦ÌM for AKR1C1, AKR1C2 and AKR1C3, respectively. Liquiritin efficiently inhibits progesterone metabolism mediated by AKR1C1 in vivo[1]. Liquiritin acts as an antioxidant and has neuroprotective, anti-cancer and anti-inflammatory activity[2].
PRICE
55
DESCRIPTION
Liquiritin (Liquiritigenin-4'-O-glucoside) (LIQ) is a main component among the licorice flavonoids, and possesses anti-inflammatory and anti-cancer abilities.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
6
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Molecular Weight
418.13
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
5
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
2
cLogP
0.28
TPSA
145.91
Fraction CSP3
0.38
Chiral centers
6.0
Largest ring
6.0
QED
0.47
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Metabolism
Target
Reactive Oxygen Species
Reactive Oxygen Species (ROS)
AKR1C
MOA
Antioxidant
Source data
