General
Preferred name
SKATOLE
Synonyms
Skatolum ()
3-Methyl-1H-indole ()
3-?Methylindole ()
Scatole ()
beta-Methylindole ()
3-Methylindole ()
3-methylindole, Scatole ()
P&D ID
PD000294
CAS
9009-96-5
83-34-1
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
5
MedChem Express Bioactive Compound Library
NPC Screening Collection
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
131.07
Hydrogen Bond Acceptors
0
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
2
cLogP
2.48
TPSA
15.79
Fraction CSP3
0.11
Chiral centers
0.0
Largest ring
6.0
QED
0.56
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Anti-infection
Autophagy
MAPK/ERK Pathway
Metabolic Enzyme/Protease
Target
AHR
Aryl hydrocarbon receptor
Bacterial
Endogenous Metabolite
Fungal
p38 MAPK
MOA
AhR
Source data
