General
Preferred name
ELEMICIN
Synonyms
Elemicine ()
3,4,5-trimethoxyallylbenzene ()
P&D ID
PD056551
CAS
487-11-6
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
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
208.11
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
5
Ring Count
1
Aromatic Ring Count
1
cLogP
2.44
TPSA
27.69
Fraction CSP3
0.33
Chiral centers
0.0
Largest ring
6.0
QED
0.7
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Metabolic Enzyme/Protease
Target
Bacterial
Influenza Virus
Stearoyl-CoA Desaturase (SCD)
SCD
Source data
