acompound

Showing entry for 1-Methoxyerythrabyssin Ii

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0025795
Compound Name	1-Methoxyerythrabyssin Ii
Structure
Formula	C26H30O5
InchiKey	SHSISVOIQZYVQR-AFMDSPMNSA-N
SMILES	COc1c2c(OC[C@@H]3[C@H]2Oc2c3ccc(c2CC=C(C)C)O)cc(c1CC=C(C)C)O
Inchi	InChI=1S/C26H30O5/c1-14(2)6-8-17-20(27)11-10-16-19-13-30-22-12-21(28)18(9-7-15(3)4)25(29-5)23(22)26(19)31-24(16)17/h6-7,10-12,19,26-28H,8-9,13H2,1-5H3/t19-,26+/m0/s1
IUPAC	(6aR,11aR)-1-methoxy-2,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Molecular Weight	422.21
Pubchem Id	24761044
Chembl Id	CHEMBL401566

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	BXGT007573	Sialidase	reviewed		nanH	110	-	-	-
reviewed	BXGT007573	Sialidase	reviewed		nanH	-	90	-	-

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	Ratio IC50	'='	100	-
P10481	BXGT007573	Sialidase	reviewed	-	nanH	IC50	'='	90	nM
P10481	BXGT007573	Sialidase	reviewed	-	nanH	Inhibition	-	-	-
P10481	BXGT007573	Sialidase	reviewed	-	nanH	Ki	'='	110	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00857	Mitracarpus scaber	Mitracarpus scaber	Others
BXGF00878	Lespedeza bicolor	Lespedeza bicolor	Medicinal Plant
BXGF05790	Glycyrrhiza uralensis	Glycyrrhiza uralensis	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}