acompound

Showing entry for 2-Isopropyl-5-methylphenol acetate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0007727
Compound Name	2-Isopropyl-5-methylphenol acetate
Structure
Formula	C12H16O2
InchiKey	WFMIUXMJJBBOGJ-UHFFFAOYSA-N
SMILES	CC(C)C1=CC=C(C)C=C1OC(C)=O
Inchi	InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h5-8H,1-4H3
IUPAC	5-methyl-2-(propan-2-yl)phenyl acetate
Molecular Weight	192.25
Pubchem Id	68252
Chembl Id	CHEMBL3343661

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	BXGT012315	Secreted chorismate mutase	reviewed		Rv1885c	-	4080	-	-

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

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00123	Pot marjoram	Origanum onites	Herbs and Spices
BXGF00183	Common thyme	Thymus vulgaris	Herbs and Spices
BXGF01506	Thymus quinquecostatus	Thymus quinquecostatus	Medicinal Plant
BXGF02040	Brucea mollis	Brucea mollis	Others
BXGF02612	Mosla chinensis	Mosla chinensis	Medicinal Plant
BXGF03243	Elsholtzia ciliata	Elsholtzia ciliata	Medicinal Plant
BXGF03714	Elsholtzia splendens	Elsholtzia splendens	Medicinal Plant
BXGF05651	Humulus scandens	Humulus scandens	Human Edible 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}