General
Preferred name
(E)-3,4-Dimethoxycinnamic acid
Synonyms
DIMETHYLCAFFEIC ACID ()
3,4-Dimethoxycinnamic acid ()
O-Methylferulic acid ()
Caffeic acid dimethyl ether ()
(E)-O-Methylferulic acid ()
O,O'-DIMETHYLCAFFEIC ACID ()
P&D ID
PD002140
CAS
14737-89-4
2316-26-9
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
0
Organisms
1
Compound Sets
5
Other bioactive compounds
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
208.07
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
1
Aromatic Ring Count
1
cLogP
1.8
TPSA
55.76
Fraction CSP3
0.18
Chiral centers
0.0
Largest ring
6.0
QED
0.77
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Apoptosis
Protein Tyrosine Kinase/RTK
Anti-infection
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Target
Reactive Oxygen Species
Virus Protease
ROS
Source data
