General
Preferred name
Sinapaldehyde
Synonyms
trans-3,5-Dimethoxy-4-hydroxy cinnamaldehyde ()
P&D ID
PD158058
CAS
4206-58-0
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Sinapaldehyde is a methoxyphenol and a selective COX-2 inhibitor (IC50: 47.8 ¦ÌM) that can be extracted from various plants. Sinapaldehyde has antibacterial, anti-inflammatory, and antioxidant activities. Sinapaldehyde can scavenge DPPH free radicals (IC50: 172 ¦ÌM). Sinapaldehyde is active against both Gram-negative and Gram-positive bacteria[1][2].
PRICE 29
DESCRIPTION Sinapaldehyde (trans-3,5-Dimethoxy-4-hydroxy cinnamaldehyde) is a natural product. Sinapaldehyde exhibits moderate antibacterial against Methicillin resistant S. aureus (MRSA) and E. coli with MIC values of 128 and 128 ??g/mL.
DESCRIPTION Sinapaldehyde (trans-3,5-Dimethoxy-4-hydroxy cinnamaldehyde) is a natural product. Sinapaldehyde exhibits moderate antibacterial against Methicillin resistant S. aureus (MRSA) and E. coli with MIC values of 128 and 128 μg/mL. (TargetMol Bioactive Compound Library)
Cell lines
3
Organisms
0
Compound Sets
4
Cayman Chemical Bioactives
40267
MedChem Express Bioactive Compound Library
HY-N1312
Selleckchem Bioactive Compound Library
sinapaldehyde
TargetMol Bioactive Compound Library
TN2281
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
208.07
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
1
Aromatic Ring Count
1
cLogP
1.62
TPSA
55.76
Fraction CSP3
0.18
Chiral centers
0.0
Largest ring
6.0
QED
0.6
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Bacterial
COX
Interleukin Related
JNK
NO Synthase
PERK
Reactive Oxygen Species (ROS)
Antibacterial
Reactive Oxygen Species
Pathway
Microbiology/virology
Anti-infection
Cell Cycle/DNA Damage
Immunology/Inflammation
MAPK/ERK Pathway
Metabolic Enzyme/Protease
NF-κB
NF-¦ÊB
Source data