General
Preferred name
Trans,trans-dibenzalacetone
Synonyms
Dibenzylideneacetone ()
trans,trans-Dibenzylideneacetone ()
Dibenzalacetone ()
(E,E)-Dibenzylideneacetone ()
P&D ID
PD070035
CAS
35225-79-7
538-58-9
32005-36-0
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 Dibenzylideneacetone (Dibenzalacetone) is a potent inhibitor of chitinase with an IC50 value of 13.10 ¦ÌM. The MIC value of Dibenzylideneacetone against Botrytis cinerea is 32 ¦Ìg/mL, and the EC50 values for inhibiting mycelium growth and spore germination are 16.29 and 14.64 ¦Ìg/mL, respectively. Dibenzylideneacetone can be used in research on fruit and vegetable preservatives[1].
DESCRIPTION Dibenzylideneacetone (DBA) is a fruit antifungal agent with inhibitory activity against Botrytis cinerea Chitinase with an IC50 of 13.10 ¦Ìg/mL. Dibenzylideneacetone has an MIC of 32 ¦Ìg/mL against B. cinerea and EC50 values of 16.29 and 14.64 ¦Ìg/mL in inhibiting mycelial growth and spore germination, respectively. Dibenzylideneacetone can overcomes Botrytis cinerea infection in cherry tomatoes by inhibiting chitinase activity[1].
Cell lines
0
Organisms
1
Compound Sets
5
CZ-OPENSCREEN Bioactive Library
Mcule NIBR MoA Box Subset
MCULE-2115732509
MedChem Express Bioactive Compound Library
HY-W012192
HY-75828
Novartis Chemogenetic Library (NIBR MoA Box)
ZINC Tool Compounds
ZINC000001504183
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
234.1
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
2
Aromatic Ring Count
2
cLogP
3.98
TPSA
17.07
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.73
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Member status
member
MOA
N-Myristoyltransferase 1 (NMT1) Inhibitors
Target
Bacterial
Parasite
Fungal
Pathway
Anti-infection
Source data