General
Preferred name
LIGUSTILIDE
Synonyms
(Z)-Ligustilide ()
P&D ID
PD052584
CAS
4431-01-0
81944-09-4
Tags
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()] ]]
Description
(extracted from source data)
DESCRIPTION
Ligustilide is isolated from the roots of Angelica sinensis (Oliv.) Diels. It has neuroprotective, vasorelaxation, antinociceptive and anti-inflammatory effects. Ligustilide is a natural compound used in cosmetics material.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
7
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
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
25
Molecular Weight
190.1
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
0
cLogP
2.87
TPSA
26.3
Fraction CSP3
0.42
Chiral centers
0.0
Largest ring
6.0
QED
0.63
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Autophagy
Anti-infection
Target
TNF
Bacterial
MOA
tumor necrosis factor production inhibitor
Solubility
Soluble in DMSO
Source data
