acompound

Showing entry for Rel-(7R,8R,7'r,8'r)-3',4'-Methylenedioxy-3,4,5,5'-Tetramethoxy-7,7'-Epoxylignan

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0034891
Compound Name	Rel-(7R,8R,7'r,8'r)-3',4'-Methylenedioxy-3,4,5,5'-Tetramethoxy-7,7'-Epoxylignan
Structure
Formula	C23H28O7
InchiKey	RKSBJQZDPAGEQW-QNLIWRIUSA-N
SMILES	COc1cc(cc(c1OC)OC)[C@@H]1O[C@H]([C@@H]([C@H]1C)C)c1cc(OC)c2c(c1)OCO2
Inchi	InChI=1S/C23H28O7/c1-12-13(2)21(15-9-18(26-5)23-19(10-15)28-11-29-23)30-20(12)14-7-16(24-3)22(27-6)17(8-14)25-4/h7-10,12-13,20-21H,11H2,1-6H3/t12-,13-,20-,21-/m1/s1
IUPAC	6-[(2R,3R,4R,5R)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]-4-methoxy-1,3-benzodioxole
Molecular Weight	416.18
Pubchem Id	11080226
Chembl Id	CHEMBL1821993

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	BXGT009355	Nitric oxide synthase, inducible	reviewed		Nos2	-	48970	-	-

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
P29477	BXGT009355	Nitric oxide synthase, inducible	reviewed	-	Nos2	IC50	'='	48970	nM
P29477	BXGT009355	Nitric oxide synthase, inducible	reviewed	-	Nos2	Emax	'='	63	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF06200	Beilschmiedia tsangii	Beilschmiedia tsangii	Others

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}