General
Preferred name
BUTENONE
Synonyms
Benzalacetone ()
Acetocinnamone ()
Benzylideneacetone ()
trans-Benzylideneacetone ()
trans-Benzalacetone ()
trans-Benzylideneacetone, trans-Benzalacetone, trans-Benzylideneacetone ()
4-Phenyl-3-buten-2-one ()
Trans-4-Phenyl-3-buten-2-one ()
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()] ]]
Description
(extracted from source data)
DESCRIPTION
Benzylideneacetone (Benzalacetone) is an orally active antibiotic, tyrosinase inhibitor, phospholipase A2 inhibitor, and immunosuppressant. Benzylideneacetone has antibacterial activity against some gram-negative plant-pathogenic bacteria. Benzylideneacetone can also be used in the synthesis of chemicals and drugs, and as a flavoring additive for some foods[1][2][3].
PRICE
29
DESCRIPTION
trans-Benzylideneacetone (trans-Benzalacetone), a metabolite of gram-negative entomopathogenic bacterium Xenorhabdus nematophila, is an enzyme inhibitor against phospholipase A2 (PLA2). trans-Benzylideneacetone is an immunosuppressant[1].
PRICE
29
DESCRIPTION
trans-Benzylideneacetone (Acetocinnamone) is used in various synthetic preparations.
(TargetMol Bioactive Compound Library)
DESCRIPTION
Benzylideneacetone, a monoterpene produced by the insect pathogenic bacterium Xenorhabdus nematophila, is a phospholipase A2 (PLA2) inhibitor with inhibitory effects on arachidonoid biosynthesis and enhances baculovirus pathogenicity of Xylaria minor.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
1
Compound Sets
3
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
47
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)
Target
PLA2
Endogenous Metabolite
Phospholipase
antibiotic
Bacterial
Tyrosinase
Phospholipase (e.g. PLA)
Pathway
Metabolism
Anti-infection
Metabolic Enzyme/Protease
Source data
