acompound

Showing entry for 1-[5-Hydroxy-8-(2-Hydroxypropan-2-Yl)-2,2-Dimethyl-8,9-Dihydrofuro[2,3-H]Chromen-6-Yl]-3-(4-Methoxyphenyl)Propan-1-One

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0045272
Compound Name	1-[5-Hydroxy-8-(2-Hydroxypropan-2-Yl)-2,2-Dimethyl-8,9-Dihydrofuro[2,3-H]Chromen-6-Yl]-3-(4-Methoxyphenyl)Propan-1-One
Structure
Formula	C26H30O6
InchiKey	ICFJHRYTUSANOL-UHFFFAOYSA-N
SMILES	COc1ccc(cc1)CCC(=O)c1c2OC(Cc2c2c(c1O)C=CC(O2)(C)C)C(O)(C)C
Inchi	InChI=1S/C26H30O6/c1-25(2)13-12-17-22(28)21(19(27)11-8-15-6-9-16(30-5)10-7-15)24-18(23(17)32-25)14-20(31-24)26(3,4)29/h6-7,9-10,12-13,20,28-29H,8,11,14H2,1-5H3
IUPAC	1-[5-hydroxy-8-(2-hydroxypropan-2-yl)-2,2-dimethyl-8,9-dihydrofuro[2,3-h]chromen-6-yl]-3-(4-methoxyphenyl)propan-1-one
Molecular Weight	438.2
Pubchem Id	73669806
Chembl Id	CHEMBL3103544

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	Ratio IC50	'='	10	-
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Ki	'='	630	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Ki	'='	2740	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'='	5220	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'='	1280	nM

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}