General
Preferred name
cinnamaldehyde
Synonyms
trans-Cinnamaldehyde ()
Cinnamal ()
Phenylacrolein ()
Cinnamic aldehyde ()
NSC-16935 ()
NSC-40346 ()
Abion ca ()
.beta.-phenylacrolein ()
FEMA NO. 2286 ()
Cinnamic Aldehyde ()
XC-800 ()
Zimtaldehyde ()
P&D ID
PD046487
CAS
14371-10-9
104-55-2
Tags
covalent binder
natural product
drug
available
Drug Status
experimental
approved
Drug indication
Discovery agent
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
1
Organisms
0
Compound Sets
18
ChEMBL Drugs
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
CovBinderInPDB
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
MedChem Express Bioactive Compound Library
NCATS Inxight Approved Drugs
Novartis Chemogenetic Library (NIBR MoA Box)
Other bioactive compounds
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
51
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
Neuroscience
Metabolic Enzyme/Protease
Target
COX-2
TRPA1
Endogenous Metabolite
TRP Channel
MOA
COX
TRPA1 Agonists
Aldose Reductase Inhibitors
aldose reductase inhibitor, TRPV agonist
Member status
virtual
Source data
