General
Preferred name
CUMINALDEHYDE
Synonyms
Cuminic aldehyde ()
Cuminal ()
p-Isopropylbenzaldehyde ()
4-Isopropylbenzaldehyde ()
Cuminaldehyde, Cuminic aldehyde, Cuminal ()
4-Isopropyl-Benzaldehyde ()
P&D ID
PD088171
CAS
122-03-2
Tags
available
natural product
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
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
32
Properties
(calculated by RDKit )
Molecular Weight
148.09
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
2.62
TPSA
17.07
Fraction CSP3
0.3
Chiral centers
0.0
Largest ring
6.0
QED
0.59
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data
