General
Preferred name
BESIGOMSIN
Synonyms
TJN-101 ()
Wuweizi alcohol-B ()
Schisandrol B ()
Schizandrol B ()
gamma-Schisandrin ()
GOMISIN A ()
Gomisin-A ()
Gomisin A, Besigomsin, Wuweizi alcohol B, Gamma-Schisandrin ()
TJN 101 ()
Wuweizichun b ()
Schisantherinol b ()
Wuweizi alcohol b ()
P&D ID
PD011945
CAS
58546-54-6
Tags
drug candidate
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
6
ChEMBL Drugs
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
Properties
(calculated by RDKit )
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)
Pathway
Autophagy
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
MOA
lipid peroxidase inhibitor
Target
Cytochrome P450
Reactive Oxygen Species
Source data
