acompound

Showing entry for 4-Methylphenol

General Compound Information
BXGC Id	BXGC0004591
Compound Name	4-Methylphenol
Structure
Formula	C7H8O
InchiKey	IWDCLRJOBJJRNH-UHFFFAOYSA-N
SMILES	CC1=CC=C(O)C=C1
Inchi	InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
IUPAC	4-methylphenol
Molecular Weight	108.14
Pubchem Id	2879
Chembl Id	CHEMBL16645

Targets of Information Source

DrugBank

DB01688

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
Q05603	BXGT012829	Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase	reviewed	-	cobT	experimental	-

PDB

PCR

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
P09788	BXGT006920	4-cresol dehydrogenase [hydroxylating] flavoprotein subunit	reviewed	pchF	-	-	-	-	-
Q05603	BXGT012829	Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase	reviewed	cobT	-	-	-	-	-
Q00456	BXGT012520	Toluene-4-monooxygenase system, hydroxylase component subunit alpha	reviewed	tmoA	-	-	-	-	-
Q00459	BXGT012523	Toluene-4-monooxygenase system, effector component	reviewed	tmoD	-	-	-	-	-
F6MZ55	BXGT003298	Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase	unreviewed	arsA	-	-	-	-	-
O84957	BXGT005231	Positive phenol-degradative gene regulator	unreviewed	poxR	-	-	-	-	-
Q8EBV3	BXGT018084	NAD(P)H:flavin oxidoreductase Sye4	unreviewed	sye4	-	-	-	-	-
Q9NAV7	BXGT021123	Dehaloperoxidase B	unreviewed		-	-	-	2682000	-

Binding DB

50008543

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	-	1.8	-	-

CHEMBL

CHEMBL16645

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
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	Potency	-	70794	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	101	%
P02769	BXGT005956	Serum albumin	reviewed	-	ALB	Log 1/C	'='	3	-
P17988	BXGT008363	Sulfotransferase 1A1	reviewed	-	Sult1a1	Vmax	'='	320	nM min-1
P19224	BXGT008468	UDP-glucuronosyltransferase 1-6	reviewed	-	UGT1A6	Activity	'='	10	pm/min/mg
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'='	1	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'='	4900	nM
P17988	BXGT008363	Sulfotransferase 1A1	reviewed	-	Sult1a1	Ratio	'='	1080	-
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	47307	nM
P19224	BXGT008468	UDP-glucuronosyltransferase 1-6	reviewed	-	UGT1A6	Activity	'='	29	pm/min/mg
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	920	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	114	%
P17988	BXGT008363	Sulfotransferase 1A1	reviewed	-	Sult1a1	Km	'='	10000	nM
P51449	BXGT010846	Nuclear receptor ROR-gamma	reviewed	Nuclear receptor	RORC	Potency	-	10590	nM
P19224	BXGT008468	UDP-glucuronosyltransferase 1-6	reviewed	-	UGT1A6	Activity	'='	200	pm/min/mg
O60656	BXGT004889	UDP-glucuronosyltransferase 1-9	reviewed	-	UGT1A9	Activity	'='	150	pm/min/mg
P10145	BXGT007542	Interleukin-8	reviewed	Signaling	CXCL8	Potency	-	94391	nM
P50225	BXGT010781	Sulfotransferase 1A1	reviewed	-	SULT1A1	Activity	-	-	-

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
BXGF00050	Chinese cinnamon	Cinnamomum aromaticum	Herbs and Spices
BXGF00059	Arabica coffee	Coffea arabica	Coffee and coffee products
BXGF00074	Cardamom	Elettaria cardamomum	Herbs and Spices
BXGF00079	Common buckwheat	Fagopyrum esculentum	Cereals and cereal products
BXGF00113	Peppermint	Mentha X piperita	Herbs and Spices
BXGF00116	Mulberry	Morus	Fruits
BXGF00137	Anise	Pimpinella anisum	Herbs and Spices
BXGF00146	Sour cherry	Prunus cerasus	Fruits
BXGF00148	Almond	Prunus dulcis	Nuts
BXGF00162	Red raspberry	Rubus idaeus	Fruits
BXGF00180	Tamarind	Tamarindus indica	Fruits
BXGF00191	Highbush blueberry	Vaccinium corymbosum	Fruits
BXGF00193	Bilberry	Vaccinium myrtillus	Fruits
BXGF00380	White mustard	Sinapis alba	Herbs and Spices
BXGF00810	Cereals and cereal products		Cereals and cereal products
BXGF00814	Crustaceans		Aquatic foods
BXGF00823	Fruits		Fruits
BXGF00824	Green vegetables		Vegetables
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
BXGF01812	Physalis alkekengi	Physalis alkekengi	Medicinal Plant
BXGF01823	Houttuynia cordata	Houttuynia cordata	Medicinal Plant
BXGF02024	Actaea dahurica	Actaea dahurica	Human Edible Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02143	Actaea cimicifuga	Actaea cimicifuga	Medicinal Plant
BXGF02425	Ephedra herba	Ephedra herba	Others
BXGF02815	Pinellia ternata	Pinellia ternata	Medicinal Plant
BXGF03435	Angelica pubescens	Angelica pubescens	Medicinal Plant
BXGF04402	Actaea simplex	Actaea simplex	Others
BXGF04607	Morus alba	Morus alba	Medicinal Plant
BXGF04712	Prunus mume	Prunus mume	Medicinal Plant
BXGF05011	Artemisia capillaries	Artemisia capillaries	Others
BXGF05895	Commiphora myrrha	Commiphora myrrha	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}