General
Preferred name
m-Tolualdehyde
Synonyms
3-Methylbenzaldehyde ()
P&D ID
PD157977
CAS
1334-78-7
620-23-5
Tags
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()] ]]
Description
(extracted from source data)
DESCRIPTION
m-Tolualdehyde (3-Methylbenzaldehyde) is a natural product. m-Tolualdehyde can be isolated from Ficus carica L. and Myosotis arvensis. m-Tolualdehyde has food protective effects. m-Tolualdehyde shows acaricidal activities for Tyrophagus putrescentiae with a LD50 of 1.97 ¦Ìg/cm3[1][2].
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
2
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
Molecular Weight
120.06
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
1.81
TPSA
17.07
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.52
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Bacterial
Endogenous Metabolite
Pathway
Anti-infection
Metabolic Enzyme/Protease
Source data
