acompound

Showing entry for xi-3-(4-Isopropylphenyl)-2-methylpropanal

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0009080
Compound Name	xi-3-(4-Isopropylphenyl)-2-methylpropanal
Structure
Formula	C13H18O
InchiKey	ZFNVDHOSLNRHNN-UHFFFAOYSA-N
SMILES	CC(CC1=CC=C(C=C1)C(C)C)C=O
Inchi	InChI=1S/C13H18O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3
IUPAC	2-methyl-3-[4-(propan-2-yl)phenyl]propanal
Molecular Weight	190.28
Pubchem Id	517827
Chembl Id	CHEMBL3183483

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
Q8NHB7	BXGT018568	Olfactory receptor 5K1	reviewed	-	OR5K1	Inhibition	'>='	75	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00823	Fruits		Fruits

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}