acompound

Showing entry for 3,4-divanillyltetrahydrofuran

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0042194
Compound Name	3,4-divanillyltetrahydrofuran
Structure
Formula	C20H24O5
InchiKey	ROGUIJKVZZROIQ-UHFFFAOYSA-N
SMILES	COc1cc(ccc1O)CC1COCC1Cc1ccc(c(c1)OC)O
Inchi	InChI=1S/C20H24O5/c1-23-19-9-13(3-5-17(19)21)7-15-11-25-12-16(15)8-14-4-6-18(22)20(10-14)24-2/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3
IUPAC
Molecular Weight	344.16
Pubchem Id	182210
Chembl Id	CHEMBL405043

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

n.a

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

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
P04278	BXGT006182	Sex hormone-binding globulin	reviewed	-	SHBG	Kd	'='	309	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00087	Sea-buckthornberry	Hippophae rhamnoides	Fruits
BXGF01600	Sedum sarmentosum	Sedum sarmentosum	Medicinal Plant
BXGF03319	Trichosanthes kirilowii	Trichosanthes kirilowii	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}