acompound

Showing entry for koaburaside

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0025237
Compound Name	koaburaside
Structure
Formula	C14H20O9
InchiKey	SWHCKWOYUSDWOF-RGCYKPLRSA-N
SMILES	OC[C@H]1O[C@@H](Oc2cc(OC)c(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C14H20O9/c1-20-7-3-6(4-8(21-2)10(7)16)22-14-13(19)12(18)11(17)9(5-15)23-14/h3-4,9,11-19H,5H2,1-2H3/t9-,11-,12+,13-,14-/m1/s1
IUPAC	(2S,3R,4S,5S,6R)-2-(4-hydroxy-3,5-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	332.11
Pubchem Id	5318820
Chembl Id	CHEMBL513117

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
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Activity	-	-	-
P00734	BXGT005630	Prothrombin	reviewed	Enzyme	F2	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01856	Aquilaria sinensis	Aquilaria sinensis	Medicinal Plant
BXGF02109	Embelia ribes	Embelia ribes	Medicinal Plant
BXGF02243	Scopolia parviflora	Scopolia parviflora	Medicinal Plant
BXGF02338	Knoxia valerianoides	Knoxia valerianoides	Medicinal Plant
BXGF02359	Eucommia ulmoides	Eucommia ulmoides	Medicinal Plant
BXGF02705	Capparis flavicans	Capparis flavicans	Human Edible Plant
BXGF06161	Epimedium wushanense	Epimedium wushanense	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}