acompound

Showing entry for (+)-Secoisolariciresinol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0000932
Compound Name	(+)-Secoisolariciresinol
Structure
Formula	C20H26O6
InchiKey	PUETUDUXMCLALY-HOTGVXAUSA-N
SMILES	COC1=C(O)C=CC(C[C@@H](CO)[C@H](CO)CC2=CC(OC)=C(O)C=C2)=C1
Inchi	InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1
IUPAC	(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol
Molecular Weight	362.42
Pubchem Id	65373
Chembl Id	CHEMBL368347

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	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	-	47300	-	-
reviewed	BXGT007595	Cytochrome P450 2D6	reviewed		CYP2D6	-	>100000	-	-

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
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	IC50	-	-	-
P08254	BXGT006758	Stromelysin-1	reviewed	Enzyme	MMP3	IC50	-	-	-
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	IC50	'>'	100000	nM
P47989	BXGT010602	Xanthine dehydrogenase/oxidase	reviewed	Enzyme	XDH	IC50	'='	213000	nM
P08253	BXGT006757	72 kDa type IV collagenase	reviewed	Enzyme	MMP2	IC50	-	-	-
P04278	BXGT006182	Sex hormone-binding globulin	reviewed	-	SHBG	IC50	'='	230000	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	Inhibition	'<'	5	%
P39900	BXGT010148	Macrophage metalloelastase	reviewed	Enzyme	MMP12	IC50	-	-	-
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	IC50	'='	47300	nM
P45452	BXGT010462	Collagenase 3	reviewed	Enzyme	MMP13	IC50	-	-	-
P14780	BXGT008053	Matrix metalloproteinase-9	reviewed	Enzyme	MMP9	IC50	-	-	-
P03956	BXGT006120	Interstitial collagenase	reviewed	Enzyme	MMP1	IC50	'='	50120	nM
P03956	BXGT006120	Interstitial collagenase	reviewed	Enzyme	MMP1	Inhibition	'>'	30	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00017	Burdock	Arctium lappa	Vegetables
BXGF00097	Sweet bay	Laurus nobilis	Herbs and Spices
BXGF00101	Flaxseed	Linum usitatissimum	Herbs and Spices
BXGF00151	Pomegranate	Punica granatum	Fruits
BXGF01359	Daphne feddei	Daphne feddei	Others
BXGF01918	Cytisus austriacus	Cytisus austriacus	Others
BXGF02047	Vitex rotundifolia	Vitex rotundifolia	Medicinal Plant
BXGF02240	Clematis terniflora var. mandshurica	Clematis terniflora var. mandshurica	Medicinal Plant
BXGF02293	Rubia yunnanensis	Rubia yunnanensis	Medicinal Plant
BXGF03319	Trichosanthes kirilowii	Trichosanthes kirilowii	Medicinal Plant
BXGF03702	Solanum aculeatissimum	Solanum aculeatissimum	Medicinal Plant
BXGF04918	Taxus yunnanensis	Taxus yunnanensis	Others
BXGF05199	Berberis koreana	Berberis koreana	Medicinal Plant
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}