acompound

Showing entry for Schaftoside

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0001777
Compound Name	Schaftoside
Structure
Formula	C26H28O14
InchiKey	MMDUKUSNQNWVET-UHFFFAOYSA-N
SMILES	OCC1OC(C(O)C(O)C1O)C1=C(O)C(C2OCC(O)C(O)C2O)=C2OC(=CC(=O)C2=C1O)C1=CC=C(O)C=C1
Inchi	InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2
IUPAC	5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-one
Molecular Weight	564.49
Pubchem Id	3550102
Chembl Id	CHEMBL1537012

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
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Potency	-	50118	nM
P39748	BXGT010134	Flap endonuclease 1	reviewed	Enzyme	FEN1	Potency	-	19952	nM
P06746	BXGT006496	DNA polymerase beta	reviewed	Enzyme	POLB	Potency	'='	17782	nM
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	'='	4466	nM
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	19952	nM
P10253	BXGT007550	Lysosomal alpha-glucosidase	reviewed	Enzyme	GAA	Potency	'='	28183	nM
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	22387	nM
Q9Y253	BXGT022216	DNA polymerase eta	reviewed	-	POLH	Potency	-	7943	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF00081	Fig	Ficus carica	Fruits
BXGF00125	Rice	Oryza sativa	Cereals and cereal products
BXGF00187	Common wheat	Triticum aestivum	Cereals and cereal products
BXGF00296	Carob	Ceratonia siliqua	Vegetables
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00829	Green bell pepper	Capsicum annuum	Vegetables
BXGF00830	Yellow bell pepper	Capsicum annuum	Vegetables
BXGF00831	Orange bell pepper	Capsicum annuum	Vegetables
BXGF00832	Red bell pepper	Capsicum annuum	Vegetables
BXGF00833	Italian sweet red pepper	Capsicum annuum	Vegetables
BXGF02381	Glycyrrhiza inflata	Glycyrrhiza inflata	Medicinal Plant
BXGF04271	Artemisia annua	Artemisia annua	Medicinal Plant
BXGF04872	Glycyrrhiza glabra	Glycyrrhiza glabra	Medicinal Plant

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}