General
Preferred name
ISOFERULIC ACID
Synonyms
3-Hydroxy-4-methoxycinnamic acid ()
Hesperetic acid ()
Hesperetate ()
Isoferulate ()
trans-3-Hydroxy-4-methoxycinnamic acid ()
trans-Isoferulic acid ()
Hesperetic acid, Hesperetate, Isoferulate ()
P&D ID
PD006097
CAS
537-73-5
25522-33-2
Tags
natural product
drug candidate
available
Drug indication
Discovery agent
Drug Status
experimental
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
6
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
32
Properties
(calculated by RDKit )
Molecular Weight
194.06
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
1
cLogP
1.5
TPSA
66.76
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
GPCR/G protein
Anti-infection
Neuronal Signaling
Immunology/Inflammation
Target
Adrenergic Receptor
Influenza Virus
NO Synthase
Prostaglandin Receptor
Source data
