acompound

Showing entry for Menthofuran

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0007812
Compound Name	Menthofuran
Structure
Formula	C10H14O
InchiKey	YGWKXXYGDYYFJU-UHFFFAOYSA-N
SMILES	CC1CCC2=C(C1)OC=C2C
Inchi	InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3
IUPAC	3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran
Molecular Weight	150.22
Pubchem Id	329983
Chembl Id	CHEMBL1522900

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	BXGT007716	Cytochrome P450 2A6	reviewed		CYP2A6	840	-	-	-
reviewed	BXGT007716	Cytochrome P450 2A6	reviewed		CYP2A6	2500	-	-	-

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
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	Ratio IC50	'<'	2	-
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	Ki	'='	2500	nM
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	Partition ratio	'='	3	-
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Inhibition	-	-	-
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	Ki	'='	840	nM
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	6309	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	17782	nM
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Inhibition	-	-	-
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	Kinact	'='	0	min-1
Q9R1A7	BXGT021413	Nuclear receptor subfamily 1 group I member 2	reviewed	-	Nr1i2	Potency	-	56234	nM
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	Inhibition	-	-	-
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	Kinact	'='	0	min-1
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	74978	nM
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	Potency	-	31622	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00068	Turmeric	Curcuma longa	Herbs and Spices
BXGF00081	Fig	Ficus carica	Fruits
BXGF00109	Mentha (Mint)	Mentha	Herbs and Spices
BXGF00110	Orange mint	Mentha aquatica	Herbs and Spices
BXGF00111	Cornmint	Mentha arvensis	Herbs and Spices
BXGF00112	Spearmint	Mentha spicata	Herbs and Spices
BXGF00113	Peppermint	Mentha X piperita	Herbs and Spices
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF02756	Schizonepeta tenuisfolia	Schizonepeta tenuisfolia	Others
BXGF06092	Schizonepeta tenuifolia	Schizonepeta tenuifolia	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}