acompound

Showing entry for (-)-Secoisolariciresinol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0047900
Compound Name	(-)-Secoisolariciresinol
Structure
Formula	C20H26O7
InchiKey	VPDBTIFHPUYJJJ-HGUAOMBGSA-N
SMILES	OC[C@@H]([C@@H](C(c1ccc(c(c1)OC)O)O)CO)Cc1ccc(c(c1)OC)O
Inchi	InChI=1S/C20H26O7/c1-26-18-8-12(3-5-16(18)23)7-14(10-21)15(11-22)20(25)13-4-6-17(24)19(9-13)27-2/h3-6,8-9,14-15,20-25H,7,10-11H2,1-2H3/t14-,15-,20?/m0/s1
IUPAC	(2R,3R)-1-(4-hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(hydroxymethyl)butane-1,4-diol
Molecular Weight	378.17
Pubchem Id	44566585
Chembl Id

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	BXGT010602	Xanthine dehydrogenase/oxidase	reviewed	Enzyme	XDH	-	213000	-	-
reviewed	BXGT006182	Sex hormone-binding globulin	reviewed		SHBG	-	230000	-	-
reviewed	BXGT006120	Interstitial collagenase	reviewed	Enzyme	MMP1	-	50120	-	-

CHEMBL

n.a

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

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00101	Flaxseed	Linum usitatissimum	Herbs and Spices
BXGF00151	Pomegranate	Punica granatum	Fruits
BXGF05297	Isatis tinctoria	Isatis tinctoria	Medicinal Plant
BXGF06107	Glehnia littoralis	Glehnia littoralis	Medicinal Plant
BXGF06143	Persicaria tinctoria	Persicaria tinctoria	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}