acompound

Showing entry for 5-[(2R,3S,4R,5R)-5-(1,3-Benzodioxol-5-Yl)-3,4-Dimethyloxolan-2-Yl]-1,3-Benzodioxole

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0030998
Compound Name	5-[(2R,3S,4R,5R)-5-(1,3-Benzodioxol-5-Yl)-3,4-Dimethyloxolan-2-Yl]-1,3-Benzodioxole
Structure
Formula	C20H20O5
InchiKey	QFUXQRHAJWXPGP-BINDOVRGSA-N
SMILES	C[C@@H]1[C@@H](O[C@H]([C@@H]1C)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2
Inchi	InChI=1S/C20H20O5/c1-11-12(2)20(14-4-6-16-18(8-14)24-10-22-16)25-19(11)13-3-5-15-17(7-13)23-9-21-15/h3-8,11-12,19-20H,9-10H2,1-2H3/t11-,12+,19-,20-/m1/s1
IUPAC	5-[(2R,3S,4R,5R)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-benzodioxole
Molecular Weight	340.13
Pubchem Id	338287
Chembl Id	CHEMBL1980140

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	BXGT010495	Mitogen-activated protein kinase 9	reviewed	Kinase	MAPK9	-	2500	-	-

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
Q16539	BXGT013634	Mitogen-activated protein kinase 14	reviewed	Kinase	MAPK14	IC50	-	-	-
P45984	BXGT010495	Mitogen-activated protein kinase 9	reviewed	Kinase	MAPK9	IC50	-	-	-
P45984	BXGT010495	Mitogen-activated protein kinase 9	reviewed	Kinase	MAPK9	Inhibition	'='	15	%
P63086	BXGT011494	Mitogen-activated protein kinase 1	reviewed	-	Mapk1	IC50	-	-	-
P45984	BXGT010495	Mitogen-activated protein kinase 9	reviewed	Kinase	MAPK9	IC50	'='	2500	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01179	Forsythia japonica	Forsythia japonica	Others
BXGF04999	Castilleja sulphurea	Castilleja sulphurea	Others
BXGF05319	Lindera aggregata	Lindera aggregata	Others
BXGF05353	Piper kadsura	Piper kadsura	Others
BXGF05656	Gymnosporia trigyna	Gymnosporia trigyna	Others
BXGF06190	Dioscorea sativa	Dioscorea sativa	Human Edible Plant
BXGF06230	Huperzia miyoshiana	Huperzia miyoshiana	Others
BXGF06252	Pseudobrickellia brasiliensis	Pseudobrickellia brasiliensis	Others
BXGF06310	Rhododendron latoucheae	Rhododendron latoucheae	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}