acompound

General Compound Information
BXGC Id	BXGC0000475
Compound Name	4-Methylbenzaldehyde
Structure
Formula	C8H8O
InchiKey	FXLOVSHXALFLKQ-UHFFFAOYSA-N
SMILES	CC1=CC=C(C=O)C=C1
Inchi	InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
IUPAC	4-methylbenzaldehyde
Molecular Weight	120.15
Pubchem Id	7725
Chembl Id	CHEMBL190927

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	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	-	120000	-	-
reviewed	BXGT007716	Cytochrome P450 2A6	reviewed		CYP2A6	-	4880	-	-
reviewed	BXGT008610	Cytochrome P450 2A5	reviewed		Cyp2a5	-	4680	-	-

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
P20852	BXGT008610	Cytochrome P450 2A5	reviewed	-	Cyp2a5	IC50	'='	4680	nM
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	IC50	'='	4880	nM

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
BXGF00043	Caraway	Carum carvi	Herbs and Spices
BXGF00063	Saffron	Crocus sativus	Herbs and Spices
BXGF00171	Garden tomato	Solanum lycopersicum	Vegetables
BXGF00806	Alcoholic beverages		Beverages
BXGF00813	Coffee and coffee products		Coffee and coffee products
BXGF00821	Nuts		Nuts
BXGF00823	Fruits		Fruits
BXGF00912	Plectranthus nummularius	Plectranthus nummularius	Medicinal Plant
BXGF01077	Entada polystachya	Entada polystachya	Others
BXGF01163	Entada africana	Entada africana	Medicinal Plant
BXGF01213	Iberis sempervirens	Iberis sempervirens	Others
BXGF01608	Schumanniophyton magnificum	Schumanniophyton magnificum	Others
BXGF01755	Fumaria indica	Fumaria indica	Medicinal Plant
BXGF01811	Dioscorea gracillima	Dioscorea gracillima	Medicinal Plant
BXGF01878	Lobelia chinensis	Lobelia chinensis	Medicinal Plant
BXGF01917	Vitex limonifolia	Vitex limonifolia	Others
BXGF01980	Eichhornia crassipes	Eichhornia crassipes	Medicinal Plant
BXGF02045	Echium rubrum	Echium rubrum	Others
BXGF02052	Oldenlandia diffusa	Oldenlandia diffusa	Medicinal Plant
BXGF05634	Roemeria carica	Roemeria carica	Others
BXGF06016	Pteris setuloso-costulata	Pteris setuloso-costulata	Others
BXGF06120	Craibiodendron yunnanese	Craibiodendron yunnanese	Medicinal Plant
BXGF06205	Pseuduvaria indochinensis	Pseuduvaria indochinensis	Others
BXGF06287	Monomeria barbata	Monomeria barbata	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}