General
Preferred name
CINNAMIC ACID
Synonyms
Cinnamate sodium ()
P&D ID
PD013623
CAS
104521-37-1
101921-26-0
9045-22-1
621-82-9
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
2
NPC Screening Collection
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
148.05
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
1.78
TPSA
37.3
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.65
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Source data
