[5,7-Dihydroxy-2-(3,4,5-Trihydroxyphenyl)-3,4-Dihydro-2H-Chromen-3-Yl] 3,4,5-Trihydroxybenzoate

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL311663
PubChem:	1287
IUPAC:	[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Standard InChI:	InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2
Standard InChI Key:	WMBWREPUVVBILR-UHFFFAOYSA-N
SMILES:	Oc1cc(O)c2c(c1)OC(C(C2)OC(=O)c1cc(O)c(c(c1)O)O)c1cc(O)c(c(c1)O)O

Molecular propeties
AlogP:	2.23
Hydrogen bonds acceptors:	11
Hydrogen bonds donors:	8
Rotatable bonds:	3
Number of rings:	4
Molecular Weight:	458.08
Topological polar surface area:	197
Number of aromatic rings:	3
Fsp3:	0.136
Number of carbons:	22

Plant sources

Part of plant	Plant name	Ref.
Plant	Rhodiola rosea

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.
Potency	1584.9 nM	ATP-dependent DNA helicase Q1	P46063
Potency	9431.4 nM	Galactokinase	P51570
Potency	7943.3 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	2511.9 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	89.1 nM	DNA-(apurinic or apyrimidinic site) lyase	P27695
Potency	223.9 nM	Tyrosyl-DNA phosphodiesterase 1	Q9NUW8
Potency	6309.6 nM	Microtubule-associated protein tau	P10636
Potency	19952.6 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	1995.3 nM	Arachidonate 15-lipoxygenase	P16050
Potency	17782.8 nM	Microtubule-associated protein tau	P10636
Potency	39810.7 nM	MAP kinase ERK2	P28482
Potency	25118.9 nM	Ubiquitin carboxyl-terminal hydrolase 2	O75604
Potency	14125.4 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	25118.9 nM	Bloom syndrome protein	P54132
Potency	19952.6 nM	Cytochrome P450 3A4	P08684
Potency	19952.6 nM	Cytochrome P450 3A4	P08684
IC50	6025.6 nM	HERG	Q12809
Potency	31622.8 nM	Histone acetyltransferase GCN5	Q92830