General
Preferred name
PD002060
Synonyms
3,4,5-TRIMETHOXYBENZALDEHYDE ()
P&D ID
PD002060
CAS
86-81-7
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION 3,4,5-Trimethoxybenzaldehyde is a derivative of benzaldehyde. 3,4,5-Trimethoxybenzaldehyde has antimicrobial activity. 3,4,5-Trimethoxybenzaldehyde is also an important intermediate for the synthesis of various drugs, such as Trimethoprim (HY-B0510)[1][2].
PRICE 29
DESCRIPTION 3,4,5-Trimethoxybenzaldehyde shows anti-Candida efficacy and inhibits adhesion and biofilms. (TargetMol Bioactive Compound Library)
Compound Sets
2
MedChem Express Bioactive Compound Library
HY-W009886
TargetMol Bioactive Compound Library
T9599
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
196.07
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
1
Aromatic Ring Count
1
cLogP
1.52
TPSA
44.76
Fraction CSP3
0.3
Chiral centers
0.0
Largest ring
6.0
QED
0.68
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Anti-infection
Bacterial
Drug intermediate
Pathway
Microbiology/virology
Source data