acompound

Showing entry for 3-Methylphenol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0004590
Compound Name	3-Methylphenol
Structure
Formula	C7H8O
InchiKey	RLSSMJSEOOYNOY-UHFFFAOYSA-N
SMILES	CC1=CC=CC(O)=C1
Inchi	InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
IUPAC	3-methylphenol
Molecular Weight	108.14
Pubchem Id	342
Chembl Id	CHEMBL298312

Targets of Information Source

DrugBank

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
P01308	BXGT005749	Insulin	reviewed	-	INS	experimental	-

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
P01308	BXGT005749	Insulin	reviewed	INS	-	-	-	-	-
P01315	BXGT005750	Insulin	reviewed	INS	-	-	-	-	-
P01317	BXGT005751	Insulin	reviewed	INS	-	-	-	-	-

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	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	-	4900	-	-
reviewed	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	-	46	-	-

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
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Potency	-	37685	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'='	45	nM
P10828	BXGT007624	Thyroid hormone receptor beta	reviewed	Nuclear receptor	THRB	Potency	-	39	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'='	4900	nM
P08487	BXGT006778	1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1	reviewed	-	PLCG1	IC50	'>'	250	ug.mL-1
Q92830	BXGT019379	Histone acetyltransferase KAT2A	reviewed	-	KAT2A	Potency	-	2511	nM
P19793	BXGT008515	Retinoic acid receptor RXR-alpha	reviewed	Nuclear receptor	RXRA	Potency	-	39810	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	354813	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00021	Asparagus	Asparagus officinalis	Vegetables
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00059	Arabica coffee	Coffea arabica	Coffee and coffee products
BXGF01655	Lophophora williamsii	Lophophora williamsii	Medicinal Plant
BXGF01871	Ophiopogon intermedius	Ophiopogon intermedius	Human Edible Plant
BXGF03162	Atractylodes macrocephala	Atractylodes macrocephala	Medicinal Plant
BXGF04607	Morus alba	Morus alba	Medicinal Plant
BXGF05011	Artemisia capillaries	Artemisia capillaries	Others
BXGF05372	Traversia baccharoides	Traversia baccharoides	Others
BXGF05997	Porophyllum ruderale	Porophyllum ruderale	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}