General
Preferred name
Octyl gallate
Synonyms
Progallin O ()
Stabilizer GA-8 ()
Gallic acid octyl ester ()
Octyl 3,4,5-trihydroxybenzoate ()
n-Octylgallate ()
OCTYL_GALLATE ()
n-Octyl gallate ()
Stabilizer GA 8 ()
Progallin O, n-Ocyl gallate, Stabilizer GA-8, Gallic acid octyl ester ()
E311 ()
P&D ID
PD087959
CAS
1034-01-1
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
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 ]]
Cell lines
4
Organisms
0
Compound Sets
4
DrugMAP
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
282.15
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
8
Ring Count
1
Aromatic Ring Count
1
cLogP
3.32
TPSA
86.99
Fraction CSP3
0.53
Chiral centers
0.0
Largest ring
6.0
QED
0.39
QED
0.39
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
oxidation-reduction
Microbiology&virology
Anti-infection
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Target
antioxidant
Antifungal
Bacterial
HSV
Influenza Virus
Reactive Oxygen Species
VSV
MOA
Antioxidant
Source data
