General
Preferred name
Sinapaldehyde
Synonyms
trans-3,5-Dimethoxy-4-hydroxy cinnamaldehyde ()
P&D ID
PD158058
CAS
4206-58-0
Tags
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 ]]
Cell lines
3
Organisms
0
Compound Sets
2
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
28
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
Related compounds
Custom attributes
(extracted from source data)
Pathway
Antibacterial
Anti-infection
Target
Bacterial
Source data
