Phloretin

Representations & DB's id
ChEBI:	CHEBI:17276
ChEMBL:	CHEMBL45068
PubChem:	4788
IUPAC:	3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
Standard InChI:	InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
Standard InChI Key:	VGEREEWJJVICBM-UHFFFAOYSA-N
SMILES:	Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O

Molecular propeties
AlogP:	2.32
Hydrogen bonds acceptors:	5
Hydrogen bonds donors:	4
Rotatable bonds:	4
Number of rings:	2
Molecular Weight:	274.08
Topological polar surface area:	98
Number of aromatic rings:	2
Fsp3:	0.133
Number of carbons:	15

Plant sources

Part of plant	Plant name	Ref.
Fructus	Punica granatum
Plant	Senecio platyphylloides
Plant	Humulus lupulus

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
Ki	86000 nM	Sodium/glucose cotransporter 1	P13866
IC50	46.1 ug/ml	DNA topoisomerase II alpha	P11388
Ki	32280 nM	Solute carrier family 28 member 3	Q9HAS3
Potency	5 nM	Prelamin-A/C	P02545
Potency	44668.4 nM	Thyroid hormone receptor beta-1	P10828
Potency	25118.9 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	12589.3 nM	ATP-dependent DNA helicase Q1	P46063
Potency	28183.8 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	31622.8 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	39810.7 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	31622.8 nM	Histone-lysine N-methyltransferase MLL	Q03164
Potency	12589.3 nM	Thyroid stimulating hormone receptor	P16473
Potency	15848.9 nM	Thyroid stimulating hormone receptor	P16473
Potency	22387.2 nM	Tyrosyl-DNA phosphodiesterase 1	Q9NUW8
Potency	19952.6 nM	Cytochrome P450 2C19	P33261
Potency	17782.8 nM	Microtubule-associated protein tau	P10636
Potency	3981.1 nM	Cytochrome P450 2C19	P33261
Potency	39810.7 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	28183.8 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	84921.4 nM	Peripheral myelin protein 22	Q01453
Potency	31622.8 nM	MAP kinase ERK2	P28482
Potency	31622.8 nM	MAP kinase ERK2	P28482
Potency	15848.9 nM	Thyroid stimulating hormone receptor	P16473
Potency	28183.8 nM	MAP kinase ERK2	P28482
Potency	35481.3 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	31622.8 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	25118.9 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	28183.8 nM	Serine-protein kinase ATM	Q13315
Potency	31622.8 nM	Cellular tumor antigen p53	P04637
Potency	12589.3 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	31381.4 nM	Lysosomal alpha-glucosidase	P10253
Potency	7079.5 nM	DNA polymerase beta	P06746
Potency	39810.7 nM	Cytochrome P450 2D6	P10635
Potency	25118.9 nM	Cytochrome P450 2D6	P10635
Potency	10000 nM	Cytochrome P450 3A4	P08684
Potency	1995.3 nM	Cytochrome P450 3A4	P08684
Potency	15848.9 nM	Cytochrome P450 3A4	P08684
Potency	10000 nM	Cytochrome P450 3A4	P08684
Potency	1995.3 nM	Cytochrome P450 3A4	P08684
Potency	89125.1 nM	DNA polymerase beta	P06746
Potency	12589.3 nM	Cytochrome P450 2C9	P11712
Potency	2511.9 nM	Cytochrome P450 2C9	P11712
Potency	15848.9 nM	Cytochrome P450 3A4	P08684
Potency	17782.8 nM	Beta-glucocerebrosidase	P04062
Potency	15848.9 nM	Beta-glucocerebrosidase	P04062
Potency	31622.8 nM	Histone acetyltransferase GCN5	Q92830
Potency	707.9 nM	M-phase phosphoprotein 8	Q99549
Potency	670.2 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	12589.3 nM	Arachidonate 15-lipoxygenase, type II	O15296
Potency	12589.3 nM	Arachidonate 15-lipoxygenase, type II	O15296
Potency	2908.1 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Potency	10000 nM	Glutaminase kidney isoform, mitochondrial	O94925
Potency	290.9 nM	Geminin	O75496
IC50	300 nM	Estrogen receptor alpha	P03372
IC50	21400 nM	Glucose transporter	P11166
IC50	340000 nM	Glucose-6-phosphate translocase	O43826

Phloretin

Representations & DB's id

Molecular propeties

Plant sources

In vitro data