acompound

Showing entry for Lupinifolin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0018160
Compound Name	Lupinifolin
Structure
Formula	C25H26O5
InchiKey	PDTJZCUQXSFLDW-FQEVSTJZSA-N
SMILES	CC(=CCc1c2O[C@@H](CC(=O)c2c(c2c1OC(C)(C)C=C2)O)c1ccc(cc1)O)C
Inchi	InChI=1S/C25H26O5/c1-14(2)5-10-18-23-17(11-12-25(3,4)30-23)22(28)21-19(27)13-20(29-24(18)21)15-6-8-16(26)9-7-15/h5-9,11-12,20,26,28H,10,13H2,1-4H3/t20-/m0/s1
IUPAC	(8S)-5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
Molecular Weight	406.18
Pubchem Id	10250777
Chembl Id	CHEMBL559980

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	IC50	'='	84100	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Ki	'='	5330	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Ki	'='	36300	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'='	11200	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01405	Eriosema chinense	Eriosema chinense	Medicinal Plant
BXGF05202	Flemingia philippinensis	Flemingia philippinensis	Medicinal Plant
BXGF05890	Sophora tonkinensis	Sophora tonkinensis	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}