acompound

Showing entry for Alpha-Thujaplicin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0037565
Compound Name	Alpha-Thujaplicin
Structure
Formula	C10H12O2
InchiKey	TUFYVOCKVJOUIR-UHFFFAOYSA-N
SMILES	CC(c1ccccc(c1=O)O)C
Inchi	InChI=1S/C10H12O2/c1-7(2)8-5-3-4-6-9(11)10(8)12/h3-7H,1-2H3,(H,11,12)
IUPAC	2-hydroxy-3-propan-2-ylcyclohepta-2,4,6-trien-1-one
Molecular Weight	164.08
Pubchem Id	80297
Chembl Id	CHEMBL1275969

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	BXGT008039	Tyrosinase	reviewed	Enzyme	TYR	-	>1000000	-	-
reviewed	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	-	9530	-	-
reviewed	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	3300	-	-	-

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	Km	'='	380000	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Ki	'='	3300	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'='	9530	nM
P14679	BXGT008039	Tyrosinase	reviewed	Enzyme	TYR	Ratio IC50	'<'	0	-
P14679	BXGT008039	Tyrosinase	reviewed	Enzyme	TYR	IC50	'>'	1000000	nM
P14679	BXGT008039	Tyrosinase	reviewed	Enzyme	TYR	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00183	Common thyme	Thymus vulgaris	Herbs and Spices

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}