General
Preferred name
cinnamaldehyde
Synonyms
Cinnamic aldehyde ()
trans-Cinnamaldehyde ()
Cinnamal ()
Phenylacrolein ()
P&D ID
PD013956
CAS
104-55-2
14371-10-9
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
12
Properties
(calculated by RDKit )
Molecular Weight
132.06
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
1.9
TPSA
17.07
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.44
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Chromatin/Epigenetic
Neuroscience
Target
HIF-??
COX-2
HIF-¦Á
MOA
COX
HIF
Source data
