3-(3,4-Dihydroxyphenyl)-2-[(E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoyl]Oxypropanoic Acid

Representations & DB's id
ChEBI:	CHEBI:17226
ChEMBL:	CHEMBL66966
PubChem:	5315615
IUPAC:	3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid
Standard InChI:	InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+
Standard InChI Key:	DOUMFZQKYFQNTF-ZZXKWVIFSA-N
SMILES:	O=C(OC(C(=O)O)Cc1ccc(c(c1)O)O)/C=C/c1ccc(c(c1)O)O

Molecular propeties
AlogP:	1.76
Hydrogen bonds acceptors:	7
Hydrogen bonds donors:	5
Rotatable bonds:	6
Number of rings:	2
Molecular Weight:	360.08
Topological polar surface area:	145
Number of aromatic rings:	2
Fsp3:	0.111
Number of carbons:	18

Plant sources

Part of plant	Plant name	Ref.
Plant	Foeniculum vulgare

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.
Potency	12589.3 nM	ATP-dependent DNA helicase Q1	P46063
Potency	15848.9 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	3981.1 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	25118.9 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	8912.5 nM	Tyrosyl-DNA phosphodiesterase 1	Q9NUW8
Potency	891.3 nM	Tyrosyl-DNA phosphodiesterase 1	Q9NUW8
Potency	12589.3 nM	Microtubule-associated protein tau	P10636
Potency	22387.2 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	1995.3 nM	Lysosomal alpha-glucosidase	P10253
Potency	1995.3 nM	DNA polymerase beta	P06746
Potency	12589.3 nM	Lysine-specific demethylase 4A	O75164
Potency	39810.7 nM	Histone acetyltransferase GCN5	Q92830
Potency	707.9 nM	Histone acetyltransferase GCN5	Q92830
Potency	3548.1 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	39810.7 nM	Bromodomain adjacent to zinc finger domain protein 2B	Q9UIF8
IC50	35000 nM	Rac GTPase-activating protein 1	Q9H0H5
Potency	35481.3 nM	Glutaminase kidney isoform, mitochondrial	O94925