acompound

Showing entry for Erystagallin A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0014709
Compound Name	Erystagallin A
Structure
Formula	C26H30O5
InchiKey	OOAXWUFECWLVEQ-IZZNHLLZSA-N
SMILES	COc1ccc2c(c1CC=C(C)C)O[C@@H]1[C@@]2(O)COc2c1cc(CC=C(C)C)c(c2)O
Inchi	InChI=1S/C26H30O5/c1-15(2)6-8-17-12-19-23(13-21(17)27)30-14-26(28)20-10-11-22(29-5)18(9-7-16(3)4)24(20)31-25(19)26/h6-7,10-13,25,27-28H,8-9,14H2,1-5H3/t25-,26+/m0/s1
IUPAC	(6aS,11aS)-9-methoxy-2,10-bis(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol
Molecular Weight	422.21
Pubchem Id	10410005
Chembl Id	CHEMBL1088462

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	BXGT007427	Sialidase	reviewed		nanH	-	27740	-	-
reviewed	BXGT007573	Sialidase	reviewed		nanH	1800	-	-	-
reviewed	BXGT007573	Sialidase	reviewed		nanH	-	2040	-	-
reviewed	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	20800	-	-

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
P10481	BXGT007573	Sialidase	reviewed	-	nanH	Inhibition	-	-	-
P10481	BXGT007573	Sialidase	reviewed	-	nanH	Inhibition	'='	9	%
P0C6E9	BXGT007427	Sialidase	reviewed	-	nanH	Activity	-	-	-
P10481	BXGT007573	Sialidase	reviewed	-	nanH	Ki	'='	1800	nM
P0C6E9	BXGT007427	Sialidase	reviewed	-	nanH	IC50	'='	27740	nM
P10481	BXGT007573	Sialidase	reviewed	-	nanH	Activity	-	-	-
P10481	BXGT007573	Sialidase	reviewed	-	nanH	Inhibition	'='	91	%
P10481	BXGT007573	Sialidase	reviewed	-	nanH	IC50	'='	2040	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	20800	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF06042	Erythrina abyssinica	Erythrina abyssinica	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}