General
Preferred name
GOMISIN A
Synonyms
Schisandrol B ()
Gomisin-A ()
TJN-101 ()
Wuweizi alcohol-B ()
Gomisin A, Besigomsin, Wuweizi alcohol B, Gamma-Schisandrin ()
Schizandrol B ()
BESIGOMSIN ()
Schisantherinol b ()
Besigomsine ()
Besigomsina ()
Wuweizichun b ()
Wuweizi alcohol b ()
TJN 101 ()
P&D ID
PD011945
CAS
58546-54-6
Tags
available
drug candidate
Drug Status
investigational
Max Phase
2.0
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
Schisandrol B (Gomisin-A) is a major active constituent of Schisandra chinensis with hepato-protective effects. Schisandrol B inhibits reactive oxygen species (ROS) production. Schisandrol B inhibits the activity of P-glycoprotein and CYP3A and also has anti-inflammatory, anti-diabetic and antioxidant activities[1][2][3].
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
5
ChEMBL Drugs
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Molecular Weight
416.18
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
2
cLogP
3.6
TPSA
75.61
Fraction CSP3
0.48
Chiral centers
2.0
Largest ring
8.0
QED
0.82
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
Autophagy
lipid peroxidase inhibitor
Target
Cytochrome P450
Reactive Oxygen Species (ROS)
Reactive Oxygen Species
Pathway
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
NF-¦ÊB
Source data
