acompound

General Compound Information
BXGC Id	BXGC0002422
Compound Name	2-Methylpropanal
Structure
Formula	C4H8O
InchiKey	AMIMRNSIRUDHCM-UHFFFAOYSA-N
SMILES	CC(C)C=O
Inchi	InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3
IUPAC	2-methylpropanal
Molecular Weight	72.11
Pubchem Id	6561
Chembl Id	CHEMBL1404017

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

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
G7VCG0	BXGT003550	Aldehyde dehydrogenase	unreviewed	P186_1147	-	-	-	-	-

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
P04150	BXGT006154	Glucocorticoid receptor	reviewed	Nuclear receptor	NR3C1	Potency	-	63095	nM
P05164	BXGT006333	Myeloperoxidase	reviewed	Enzyme	MPO	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF00063	Saffron	Crocus sativus	Herbs and Spices
BXGF00112	Spearmint	Mentha spicata	Herbs and Spices
BXGF00153	Radish	Raphanus sativus	Vegetables
BXGF00175	Potato	Solanum tuberosum	Vegetables
BXGF00806	Alcoholic beverages		Beverages
BXGF00808	Pomes		Fruits
BXGF00823	Fruits		Fruits
BXGF00829	Green bell pepper	Capsicum annuum	Vegetables
BXGF00830	Yellow bell pepper	Capsicum annuum	Vegetables
BXGF00831	Orange bell pepper	Capsicum annuum	Vegetables
BXGF00832	Red bell pepper	Capsicum annuum	Vegetables
BXGF00946	Artemisia montana	Artemisia montana	Medicinal Plant
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF01185	Aloe vera	Aloe vera	Medicinal Plant
BXGF01900	Aloe ferox	Aloe ferox	Medicinal Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02425	Ephedra herba	Ephedra herba	Others
BXGF03953	Artemisia princeps	Artemisia princeps	Medicinal Plant
BXGF04611	Artemisia argyi	Artemisia argyi	Medicinal Plant
BXGF04631	Aloe spicata	Aloe spicata	Medicinal Plant
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF04926	Aloe africana	Aloe africana	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}