acompound

Showing entry for 3-[2,2-Dimethyl-7-(3-methyl-2-butenyl)-8-hydroxy-2H-1-benzopyran-6-yl]-5,7-dihydroxychromone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0040672
Compound Name	3-[2,2-Dimethyl-7-(3-methyl-2-butenyl)-8-hydroxy-2H-1-benzopyran-6-yl]-5,7-dihydroxychromone
Structure
Formula	C25H24O6
InchiKey	MXRSYAGBZPTIHM-UHFFFAOYSA-N
SMILES	CC(=CCc1c(O)c2OC(C)(C)C=Cc2cc1c1coc2c(c1=O)c(O)cc(c2)O)C
Inchi	InChI=1S/C25H24O6/c1-13(2)5-6-16-17(9-14-7-8-25(3,4)31-24(14)23(16)29)18-12-30-20-11-15(26)10-19(27)21(20)22(18)28/h5,7-12,26-27,29H,6H2,1-4H3
IUPAC	5,7-dihydroxy-3-[8-hydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)chromen-6-yl]chromen-4-one
Molecular Weight	420.16
Pubchem Id	12096317
Chembl Id	CHEMBL2442951

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	53020	-	-	-
reviewed	BXGT007573	Sialidase	reviewed		nanH	-	56800	-	-

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	IC50	'='	56800	nM
P10481	BXGT007573	Sialidase	reviewed	-	nanH	Ki	'='	53020	nM
P10481	BXGT007573	Sialidase	reviewed	-	nanH	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05202	Flemingia philippinensis	Flemingia philippinensis	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}