acompound

Showing entry for (-)-3,4-Divanillyltetrahydrofuran

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0042090
Compound Name	(-)-3,4-Divanillyltetrahydrofuran
Structure
Formula	C20H24O5
InchiKey	ROGUIJKVZZROIQ-HOTGVXAUSA-N
SMILES	COc1cc(ccc1O)C[C@H]1COC[C@@H]1Cc1ccc(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/t15-,16-/m0/s1
IUPAC	4-[[(3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenol
Molecular Weight	344.16
Pubchem Id	9974771
Chembl Id	CHEMBL367448

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

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
P04278	BXGT006182	Sex hormone-binding globulin	reviewed	SHBG	-	-	4200	-	-

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	BXGT006182	Sex hormone-binding globulin	reviewed		SHBG	-	2600	-	-
reviewed	BXGT006182	Sex hormone-binding globulin	reviewed		SHBG	-	-	309	-

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	IC50	'='	2600	nM
P04278	BXGT006182	Sex hormone-binding globulin	reviewed	-	SHBG	Ka	'='	0	10'9/M
P04278	BXGT006182	Sex hormone-binding globulin	reviewed	-	SHBG	Ka	'='	3	10'6/M
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	Inhibition	'<'	5	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00887	Citrus hybr	Citrus hybr	Others
BXGF01648	Iris pallida	Iris pallida	Medicinal Plant
BXGF02079	Pyrus x bretschneideri	Pyrus x bretschneideri	Others
BXGF02117	Solidago chinensis	Solidago chinensis	Others
BXGF03590	Achillea micrantha	Achillea micrantha	Others
BXGF03844	Plazia daphnoides	Plazia daphnoides	Others
BXGF03968	Euphorbia cheiradenia	Euphorbia cheiradenia	Others
BXGF04234	Maytenus apurimacensis	Maytenus apurimacensis	Others
BXGF05117	Crucianella maritima	Crucianella maritima	Others
BXGF05558	Bidens cernua	Bidens cernua	Others
BXGF05585	Pentzia calva	Pentzia calva	Others
BXGF05604	Tetracera asiatica	Tetracera asiatica	Others
BXGF05963	Kadsura heteroclita	Kadsura heteroclita	Medicinal Plant
BXGF06018	Symphonia globulifera	Symphonia globulifera	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}