General
Preferred name
(E)-3-(4-Methoxyphenyl)acrylic acid
Synonyms
4-METHOXYCINNAMIC ACID ()
Para-Methoxycinnamic Acid ()
3-(4-Methoxyphenyl)Acrylic Acid ()
P&D ID
PD061978
CAS
830-09-1
5676-64-2
943-89-5
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
2
Organisms
0
Compound Sets
4
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
46
Properties
(calculated by RDKit )
Molecular Weight
178.06
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
1
cLogP
1.79
TPSA
46.53
Fraction CSP3
0.1
Chiral centers
0.0
Largest ring
6.0
QED
0.72
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Metabolic Enzyme/Protease
Target
Human Endogenous Metabolite
Endogenous Metabolite
Source data
