acompound

Showing entry for MLS000697724

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0037141
Compound Name	MLS000697724
Structure
Formula	C21H22O6
InchiKey	GAIYJSQKRRARSH-HXGDPMPDSA-N
SMILES	C=CC[C@]12C=C(OC)C(=O)C(=C1O[C@H]([C@H]2C)c1ccc2c(c1)OCO2)OC
Inchi	InChI=1S/C21H22O6/c1-5-8-21-10-16(23-3)17(22)19(24-4)20(21)27-18(12(21)2)13-6-7-14-15(9-13)26-11-25-14/h5-7,9-10,12,18H,1,8,11H2,2-4H3/t12-,18-,21-/m1/s1
IUPAC	(2R,3S,3aS)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one
Molecular Weight	370.14
Pubchem Id	15126682
Chembl Id	CHEMBL1888377

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

n.a

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

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
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	79432	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03296	Woodsia manchuriensis	Woodsia manchuriensis	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}