acompound

Showing entry for Dalenin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0044997
Compound Name	Dalenin
Structure
Formula	C20H18O6
InchiKey	OBECBPJJXYKUJE-UHFFFAOYSA-N
SMILES	Oc1ccc(c(c1)O)C1CC(=O)c2c(O1)cc1c(c2O)C=CC(O1)(C)C
Inchi	InChI=1S/C20H18O6/c1-20(2)6-5-12-16(26-20)9-17-18(19(12)24)14(23)8-15(25-17)11-4-3-10(21)7-13(11)22/h3-7,9,15,21-22,24H,8H2,1-2H3
IUPAC	8-(2,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
Molecular Weight	354.11
Pubchem Id	53249095
Chembl Id	CHEMBL2147165

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
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	-	-	-
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Ki	'='	160260	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'='	18610	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Ratio IC50	'='	285	-
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Ratio IC50	'='	3	-
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'='	260	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	TIME	'='	0	hr
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Ratio IC50	'='	495	-
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Ki	'='	7600	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Ratio IC50	'='	52	-
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Ki	'='	1980	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Ratio Ki	'='	15	-
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Ratio Ki	'='	8	-
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Ratio IC50	'='	59	-
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Ratio IC50	'='	7	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02000	Dalea elegans	Dalea elegans	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}