Dibenzoylmethane

Representations & DB's id
ChEBI:	CHEBI:75417
ChEMBL:	CHEMBL371523
PubChem:	8433
IUPAC:	1,3-diphenylpropane-1,3-dione
Standard InChI:	InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2
Standard InChI Key:	NZZIMKJIVMHWJC-UHFFFAOYSA-N
SMILES:	O=C(c1ccccc1)CC(=O)c1ccccc1

Molecular propeties
AlogP:	3.14
Hydrogen bonds acceptors:	2
Hydrogen bonds donors:	0
Rotatable bonds:	4
Number of rings:	2
Molecular Weight:	224.08
Topological polar surface area:	34.1
Number of aromatic rings:	2
Fsp3:	0.067
Number of carbons:	15

Plant sources

Part of plant	Plant name	Ref.
Plant	Glycyrrhiza glabra
Plant	Glycyrrhiza uralensis

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.
Ki	100000 nM	Carboxylesterase 2	O00748
Ki	26000 nM	Acyl coenzyme A:cholesterol acyltransferase	P23141
Ki	100000 nM	Acetylcholinesterase	P22303
Ki	100000 nM	Butyrylcholinesterase	P06276
Potency	28183.8 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	12589.3 nM	Survival motor neuron protein	Q16637
Potency	22387.2 nM	Tyrosyl-DNA phosphodiesterase 1	Q9NUW8
Potency	10000 nM	Arachidonate 15-lipoxygenase	P16050
Potency	8912.5 nM	Microtubule-associated protein tau	P10636
Potency	6309.6 nM	MAP kinase ERK2	P28482
Potency	39810.7 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	12589.3 nM	Cytochrome P450 3A4	P08684
Potency	12589.3 nM	Cytochrome P450 3A4	P08684
Potency	39810.7 nM	Beta-glucocerebrosidase	P04062
Potency	70794.6 nM	Lysine-specific demethylase 4A	O75164
Potency	11220.2 nM	Glucagon-like peptide 1 receptor	P43220
Potency	35481.3 nM	Guanine nucleotide-binding protein G(s), subunit alpha	P63092
Potency	14125.4 nM	Nuclear factor erythroid 2-related factor 2	Q16236