acompound

Showing entry for Foluene

General Compound Information
BXGC Id	BXGC0003218
Compound Name	Foluene
Structure
Formula	C7H8
InchiKey	YXFVVABEGXRONW-UHFFFAOYSA-N
SMILES	CC1=CC=CC=C1
Inchi	InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
IUPAC	toluene
Molecular Weight	92.14
Pubchem Id	1140
Chembl Id	CHEMBL9113

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

MBN

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
Q71QF2	BXGT016701	Agglutinin	unreviewed		-	-	-	-	-
P69905	BXGT011649	Hemoglobin subunit alpha	reviewed	HBA1;	-	-	-	-	-
P27338	BXGT009172	Amine oxidase [flavin-containing] B	reviewed	MAOB	-	-	-	-	-
A5W4F2	BXGT001374	Benzene 1,2-dioxygenase subunit alpha	reviewed	bnzA	-	-	-	-	-
P00720	BXGT005625	Endolysin	reviewed	E	-	-	-	-	14100
P68871	BXGT011615	Hemoglobin subunit beta	reviewed	HBB	-	-	-	-	-
P00720	BXGT005625	Endolysin	reviewed	E	-	-	-	905000	-
P00720	BXGT005625	Endolysin	reviewed	E	-	-	-	102000	-
B7X8M2	BXGT002275	rRNA N-glycosidase	unreviewed	MCL1	-	-	-	-	-
O68395	BXGT005027	TutD	unreviewed	tutD	-	-	-	-	-
A5W4E3	BXGT001372	Sensor histidine kinase TodS	reviewed	todS	-	-	-	8500	-
Q00456	BXGT012520	Toluene-4-monooxygenase system, hydroxylase component subunit alpha	reviewed	tmoA	-	-	-	-	-
Q00460	BXGT012524	Toluene-4-monooxygenase system, hydroxylase component subunit beta	reviewed	tmoE	-	-	-	-	-
T2MHS6	BXGT022556	Glycosaminoglycan xylosylkinase	unreviewed	FAM20B	-	-	-	-	-

Binding DB

50008558

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	-	5.2	-	-

CHEMBL

CHEMBL9113

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
P25094	BXGT009014	Peripheral myelin protein 22	reviewed	-	Pmp22	Potency	-	808	nM
P00720	BXGT005625	Endolysin	reviewed	-	E	Kd	'='	102000	nM
P10828	BXGT007624	Thyroid hormone receptor beta	reviewed	Nuclear receptor	THRB	Potency	-	0	nM
P18054	BXGT008370	Arachidonate 12-lipoxygenase, 12S-type	reviewed	Enzyme	ALOX12	Potency	'='	39810	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'='	5	nM
P00720	BXGT005625	Endolysin	reviewed	-	E	Kd	'='	71000	nM
P10828	BXGT007624	Thyroid hormone receptor beta	reviewed	Nuclear receptor	THRB	Potency	-	14125	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'='	4900	nM
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	12589	nM
P00720	BXGT005625	Endolysin	reviewed	-	E	Kd	'='	156000	nM
P00720	BXGT005625	Endolysin	reviewed	-	E	Delta Tm	'='	1	degrees C
P02545	BXGT005889	Prelamin-A/C	reviewed	-	LMNA	Potency	'='	6309	nM
P15917	BXGT008169	Lethal factor	reviewed	-	lef	Potency	'='	1000	nM
P00720	BXGT005625	Endolysin	reviewed	-	E	Kd	'='	905000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00013	Dill	Anethum graveolens	Herbs and Spices
BXGF00033	Kohlrabi	Brassica oleracea var. gongylodes	Vegetables
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF00041	Papaya	Carica papaya	Fruits
BXGF00053	Lime	Citrus aurantiifolia	Fruits
BXGF00061	Coriander	Coriandrum sativum	Herbs and Spices
BXGF00068	Turmeric	Curcuma longa	Herbs and Spices
BXGF00074	Cardamom	Elettaria cardamomum	Herbs and Spices
BXGF00087	Sea-buckthornberry	Hippophae rhamnoides	Fruits
BXGF00093	Black walnut	Juglans nigra	Nuts
BXGF00097	Sweet bay	Laurus nobilis	Herbs and Spices
BXGF00112	Spearmint	Mentha spicata	Herbs and Spices
BXGF00131	Parsley	Petroselinum crispum	Herbs and Spices
BXGF00150	Guava	Psidium guajava	Fruits
BXGF00159	Rosemary	Rosmarinus officinalis	Herbs and Spices
BXGF00265	Allspice	Pimenta dioica	Herbs and Spices
BXGF00393	Pepper (C. frutescens)	Capsicum annuum var. annuum	Vegetables
BXGF00811	Citrus		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
BXGF01245	Amomum villosum	Amomum villosum	Medicinal Plant
BXGF02182	Atractylodes lancea	Atractylodes lancea	Medicinal Plant
BXGF02425	Ephedra herba	Ephedra herba	Others
BXGF02526	Santalum album	Santalum album	Medicinal Plant
BXGF02624	Cicuta virosa	Cicuta virosa	Medicinal Plant
BXGF03162	Atractylodes macrocephala	Atractylodes macrocephala	Medicinal Plant
BXGF03326	Isodon henryi	Isodon henryi	Others
BXGF03953	Artemisia princeps	Artemisia princeps	Medicinal Plant
BXGF04605	Senna alexandrina	Senna alexandrina	Medicinal Plant
BXGF04611	Artemisia argyi	Artemisia argyi	Medicinal Plant
BXGF04820	Panax ginseng	Panax ginseng	0
BXGF05140	Amomum neoaurantiacum	Amomum neoaurantiacum	Others
BXGF05442	Zanthoxylum bungeanum	Zanthoxylum bungeanum	Medicinal Plant
BXGF06026	Magnolia officinalis rehd et wils	Magnolia officinalis rehd et wils	Others
BXGF06075	Zanthoxylum schinifolium	Zanthoxylum schinifolium	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}