acompound

Showing entry for (3R)-1,7-Bis(3,4-Dihydroxyphenyl)-3-(Beta-D-Glucopyranosyl)Heptan-3-Ol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0035307
Compound Name	(3R)-1,7-Bis(3,4-Dihydroxyphenyl)-3-(Beta-D-Glucopyranosyl)Heptan-3-Ol
Structure
Formula	C25H34O10
InchiKey	LSEDQFLRUJOXDX-SBOHWPTNSA-N
SMILES	OC[C@H]1O[C@@H](O[C@@H](CCc2ccc(c(c2)O)O)CCCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C25H34O10/c26-13-21-22(31)23(32)24(33)25(35-21)34-16(8-5-15-7-10-18(28)20(30)12-15)4-2-1-3-14-6-9-17(27)19(29)11-14/h6-7,9-12,16,21-33H,1-5,8,13H2/t16-,21-,22-,23+,24-,25-/m1/s1
IUPAC	(2R,3R,4S,5S,6R)-2-[(3R)-1,7-bis(3,4-dihydroxyphenyl)heptan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	494.22
Pubchem Id	10097263
Chembl Id	CHEMBL464362

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM

CHEMBL

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
P17252	BXGT008294	Protein kinase C alpha type	reviewed	Kinase	PRKCA	IC50	'='	1	ug.mL-1

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03593	Pinus flexilis	Pinus flexilis	Medicinal Plant
BXGF05374	Alnus firma	Alnus firma	Others

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}