acompound

Showing entry for 2-Methylphenol

General Compound Information
BXGC Id	BXGC0004589
Compound Name	2-Methylphenol
Structure
Formula	C7H8O
InchiKey	QWVGKYWNOKOFNN-UHFFFAOYSA-N
SMILES	CC1=CC=CC=C1O
Inchi	InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
IUPAC	2-methylphenol
Molecular Weight	108.14
Pubchem Id	335
Chembl Id	CHEMBL46931

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

JZ0

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
P00720	BXGT005625	Endolysin	reviewed	E	-	-	-	360000	-
Q43965	BXGT014598	Phenol regulator MopR	reviewed	mopR	-	-	-	-	-
Q9NAV7	BXGT021123	Dehaloperoxidase B	unreviewed		-	-	-	-	-

Binding DB

248166

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	-	23100	-	-

CHEMBL

CHEMBL46931

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
Q96RI1	BXGT019727	Bile acid receptor	reviewed	Nuclear receptor	NR1H4	Potency	-	2	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	35481	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	76958	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	66824	nM
P63092	BXGT011495	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	reviewed	-	GNAS	Potency	-	5623	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00019	Tarragon	Artemisia dracunculus	Herbs and Spices
BXGF00021	Asparagus	Asparagus officinalis	Vegetables
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF00059	Arabica coffee	Coffea arabica	Coffee and coffee products
BXGF00113	Peppermint	Mentha X piperita	Herbs and Spices
BXGF00146	Sour cherry	Prunus cerasus	Fruits
BXGF00173	Garden tomato (var.)	Solanum lycopersicum var. lycopersicum	Vegetables
BXGF00179	Cloves	Syzygium aromaticum	Herbs and Spices
BXGF00380	White mustard	Sinapis alba	Herbs and Spices
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
BXGF01065	Artemisia capillaris	Artemisia capillaris	Medicinal Plant
BXGF02011	Boswellia carterii	Boswellia carterii	Medicinal Plant
BXGF02024	Actaea dahurica	Actaea dahurica	Human Edible Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02143	Actaea cimicifuga	Actaea cimicifuga	Medicinal Plant
BXGF02182	Atractylodes lancea	Atractylodes lancea	Medicinal Plant
BXGF02792	Ligusticum sinense	Ligusticum sinense	Medicinal Plant
BXGF03162	Atractylodes macrocephala	Atractylodes macrocephala	Medicinal Plant
BXGF03426	Rhodiola crenulata	Rhodiola crenulata	Medicinal Plant
BXGF03789	Paeonia veitchii	Paeonia veitchii	Medicinal Plant
BXGF04402	Actaea simplex	Actaea simplex	Others
BXGF04982	Ligusticum chuanxiong	Ligusticum chuanxiong	Medicinal Plant
BXGF05011	Artemisia capillaries	Artemisia capillaries	Others
BXGF05462	Campsis flos	Campsis flos	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}