acompound

Showing entry for Astragalin 2''-O-Gallate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0048458
Compound Name	Astragalin 2''-O-Gallate
Structure
Formula	C28H24O15
InchiKey	UWIQWJHBYRTKAL-KQOASZHBSA-N
SMILES	OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1cc(O)c(c(c1)O)O
Inchi	InChI=1S/C28H24O15/c29-9-18-21(36)23(38)26(42-27(39)11-5-15(33)20(35)16(34)6-11)28(41-18)43-25-22(37)19-14(32)7-13(31)8-17(19)40-24(25)10-1-3-12(30)4-2-10/h1-8,18,21,23,26,28-36,38H,9H2/t18-,21-,23+,26-,28+/m1/s1
IUPAC	[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
Molecular Weight	600.11
Pubchem Id	5488619
Chembl Id	CHEMBL444191

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

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
reviewed	BXGT009770	Bifunctional epoxide hydrolase 2	reviewed	Enzyme	EPHX2	-	27430	-	-

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
P47820	BXGT010588	Angiotensin-converting enzyme	reviewed	-	Ace	Inhibition	'='	35	%
P47820	BXGT010588	Angiotensin-converting enzyme	reviewed	-	Ace	Inhibition	'='	53	%
P47820	BXGT010588	Angiotensin-converting enzyme	reviewed	-	Ace	Inhibition	'='	39	%
P47820	BXGT010588	Angiotensin-converting enzyme	reviewed	-	Ace	Inhibition	'='	3	%
P47820	BXGT010588	Angiotensin-converting enzyme	reviewed	-	Ace	IC50	'='	280	ug.mL-1
P47820	BXGT010588	Angiotensin-converting enzyme	reviewed	-	Ace	Inhibition	'='	15	%
P47820	BXGT010588	Angiotensin-converting enzyme	reviewed	-	Ace	Inhibition	'='	6	%
P34913	BXGT009770	Bifunctional epoxide hydrolase 2	reviewed	Enzyme	EPHX2	Inhibition	'>'	40	%
P34913	BXGT009770	Bifunctional epoxide hydrolase 2	reviewed	Enzyme	EPHX2	IC50	'='	27430	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01002	Acridocarpus vivy	Acridocarpus vivy	Others
BXGF01389	Syneilesis palmata	Syneilesis palmata	Medicinal Plant
BXGF05520	Euphorbia humifusa	Euphorbia humifusa	Medicinal Plant
BXGF06315	Uncaria donisii	Uncaria donisii	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}