General
Preferred name
ISOEUGENOL
Synonyms
ISOEUGENOL, (E)- ()
iso-Eugenol ()
4-Propenylguaiacol ()
P&D ID
PD098325
CAS
5932-68-3
97-54-1
Tags
natural product
drug
available
Drug Status
approved
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
7
Organisms
0
Compound Sets
3
MedChem Express Bioactive Compound Library
NCATS Inxight Approved Drugs
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
164.08
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
2.43
TPSA
29.46
Fraction CSP3
0.2
Chiral centers
0.0
Largest ring
6.0
QED
0.73
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Target
Bacterial
Source data
