5,7-Dihydroxy-2-(4-Hydroxyphenyl)-6-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Chromen-4-One

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL1601394
PubChem:	4475102
IUPAC:	5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Standard InChI:	InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2
Standard InChI Key:	MYXNWGACZJSMBT-UHFFFAOYSA-N
SMILES:	OCC1OC(C(C(C1O)O)O)c1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O

Molecular propeties
AlogP:	0.09
Hydrogen bonds acceptors:	10
Hydrogen bonds donors:	7
Rotatable bonds:	3
Number of rings:	4
Molecular Weight:	432.11
Topological polar surface area:	177
Number of aromatic rings:	3
Fsp3:	0.286
Number of carbons:	21

Plant sources

Part of plant	Plant name	Ref.
Plant	Trigonella foenum-graecum

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.
Potency	35481.3 nM	ATP-dependent DNA helicase Q1	P46063
Potency	28183.8 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	12589.3 nM	DNA-(apurinic or apyrimidinic site) lyase	P27695
Potency	28183.8 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	15848.9 nM	Lethal(3)malignant brain tumor-like protein 1	Q9Y468
Potency	35481.3 nM	Lysosomal alpha-glucosidase	P10253
Potency	8912.5 nM	DNA polymerase beta	P06746
Potency	79432.8 nM	Lysine-specific demethylase 4A	O75164
Potency	29092.9 nM	Nuclear factor erythroid 2-related factor 2	Q16236
EC50	2710 nM	Neurotensin receptor 1	P30989
Potency	18348.9 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Potency	89125.1 nM	Bromodomain adjacent to zinc finger domain protein 2B	Q9UIF8
Potency	23099.9 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Potency	12589.3 nM	Glutaminase kidney isoform, mitochondrial	O94925
Potency	50118.7 nM	Werner syndrome ATP-dependent helicase	Q14191