General
Preferred name
PAEONOL
Synonyms
Peonol ()
Paeonol (Peonol) ()
P&D ID
PD000445
CAS
552-41-0
Tags
drug candidate
natural product
available
Drug Status
investigational
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
9
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
Drug Repurposing Hub
DrugBank
Enamine BioReference Compounds
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
166.06
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
1.6
TPSA
46.53
Fraction CSP3
0.22
Chiral centers
0.0
Largest ring
6.0
QED
0.68
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Neuroscience
Autophagy
Neuronal Signaling
Target
MAO-A
MAO-B
Monoamine Oxidase
MAO
MOA
anti-inflammatory agent
Source data
