General
Preferred name
BUTENONE
Synonyms
Benzylideneacetone ()
trans-Benzylideneacetone ()
Benzalacetone ()
trans-Benzalacetone ()
Trans-4-Phenyl-3-buten-2-one ()
trans-Benzylideneacetone, trans-Benzalacetone, trans-Benzylideneacetone ()
P&D ID
PD158292
CAS
1896-62-4
122-57-6
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
1
Compound Sets
2
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
34
Properties
(calculated by RDKit )
Molecular Weight
146.07
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
2.29
TPSA
17.07
Fraction CSP3
0.1
Chiral centers
0.0
Largest ring
6.0
QED
0.58
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Phospholipase
Phospholipase (e.g. PLA)
Source data
