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Trans, trans-Dibenzylideneacetone

CAT: 0013-GTR19240363-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240363-01Size:10 mg
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Description
Dibenzylideneacetone (DBA) is a research compound that potently inhibits Botrytis cinerea chitinase (IC50 13.10 μg/mL) and fungal growth. It demonstrates efficacy in vitro with EC50 values of 16.29 μg/mL for mycelial growth and 14.64 μg/mL for spore germination, and has shown in vivo activity against grey mold in cherry tomatoes.
CAS Number
35225-79-7
Smiles
C (=C/C (/C=C/C1=CC=CC=C1) =O) \C2=CC=CC=C2
Molecular Formula
C17H14O
Molecular Weight
234.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one

Dibenzylideneacetone or dibenzalacetone, often abbreviated dba, is an organic compound with the formula C17H14O. It is a bright-yellow solid insoluble in water, but soluble in ethanol. Dibenzylideneacetone is used as a sunscreen component and as a ligand in organometallic chemistry, for instance in tris(dibenzylideneacetone)dipalladium(0). In this case, it is a labile ligand that is easily displaced by stronger ligands like triphenylphosphine, hence it serves a useful entry point into palladium(0) chemistry. (L2096)

CAS Number35225-79-7
PubChem CID640180
IUPAC Name(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
Molecular FormulaC17H14O
Molecular Weight234.29
XLogP4.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity272
SMILES
C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+
InChIKey
WMKGGPCROCCUDY-PHEQNACWSA-N
Chemical Structure
2D Structure
2D structure of (1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one
CAS: 35225-79-7
CID: 640180
Formula: C17H14O
MW: 234.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.29
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass234.104465066
Monoisotopic Mass234.104465066
Topological Polar Surface Area17.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity272
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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sc-251288Trans, trans, trans-1,5,9-Cyclododecatriene
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sc-220317(trans, trans) -Abscisic Acid
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