acompound

Showing entry for trans-Methylkhellactone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0030869
Compound Name	trans-Methylkhellactone
Structure
Formula	C15H16O5
InchiKey	MDDPVXHWOABQJQ-UONOGXRCSA-N
SMILES	CO[C@H]1c2c(ccc3c2oc(=O)cc3)OC([C@@H]1O)(C)C
Inchi	InChI=1S/C15H16O5/c1-15(2)14(17)13(18-3)11-9(20-15)6-4-8-5-7-10(16)19-12(8)11/h4-7,13-14,17H,1-3H3/t13-,14+/m0/s1
IUPAC
Molecular Weight	276.1
Pubchem Id	21679806
Chembl Id	CHEMBL463635

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
P62157	BXGT011410	Calmodulin	reviewed	-	CALM	Activity	-	-	-
P04353	BXGT006194	Calmodulin	reviewed	-		Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05040	prionosciadium watsoni	prionosciadium watsoni	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}