General
Preferred name
EUGENYL ACETATE
Synonyms
Acetyleugenol ()
Aceteugenol ()
1,3,4-Eugenol acetate ()
Eugenol acetate ()
P&D ID
PD087967
CAS
93-28-7
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 ]]
Cell lines
0
Organisms
1
Compound Sets
3
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
206.09
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
1
Aromatic Ring Count
1
cLogP
2.35
TPSA
35.53
Fraction CSP3
0.25
Chiral centers
0.0
Largest ring
6.0
QED
0.43
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Metabolic Enzyme/Protease
Target
Bacterial
Endogenous Metabolite
Fungal
Source data
