General
Preferred name
[8]-Shogaol
Synonyms
8-SHOGAOL ()
P&D ID
PD124430
CAS
36700-45-5
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
1
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
304.2
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
11
Ring Count
1
Aromatic Ring Count
1
cLogP
4.82
TPSA
46.53
Fraction CSP3
0.53
Chiral centers
0.0
Largest ring
6.0
QED
0.47
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
COX-2
MOA
COX
Pathway
Apoptosis
Immunology/Inflammation
Source data
