acompound

Showing entry for Scandoside

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0033535
Compound Name	Scandoside
Structure
Formula	C16H22O11
InchiKey	ZVXWFPTVHBWJOU-AWQYILTISA-N
SMILES	OCC1=C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O
Inchi	InChI=1S/C16H22O11/c17-2-5-1-7(19)10-6(14(23)24)4-25-15(9(5)10)27-16-13(22)12(21)11(20)8(3-18)26-16/h1,4,7-13,15-22H,2-3H2,(H,23,24)/t7-,8-,9-,10+,11-,12+,13-,15+,16+/m1/s1
IUPAC	(1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
Molecular Weight	390.12
Pubchem Id	21602023
Chembl Id	CHEMBL459415

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
P00690	BXGT005612	Pancreatic alpha-amylase	reviewed	-	AMY2	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00932	Gentiana scabra	Gentiana scabra	Medicinal Plant
BXGF01048	Paederia scandens	Paederia scandens	Medicinal Plant
BXGF02031	Scopolia tangutica	Scopolia tangutica	Others
BXGF02583	Hedyotis diffusae herba	Hedyotis diffusae herba	Others
BXGF04945	Lonchocarpus yucatanensis	Lonchocarpus yucatanensis	Others
BXGF05727	Cardopatium corymbosum	Cardopatium corymbosum	Others
BXGF05780	Sidastrum tehuacanum	Sidastrum tehuacanum	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}