acompound

Showing entry for demethylwedelolactone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0029265
Compound Name	demethylwedelolactone
Structure
Formula	C15H8O7
InchiKey	LUTYTNLPIUCKBJ-UHFFFAOYSA-N
SMILES	Oc1cc(O)c2c(c1)oc(=O)c1c2oc2c1cc(c(c2)O)O
Inchi	InChI=1S/C15H8O7/c16-5-1-9(19)13-11(2-5)22-15(20)12-6-3-7(17)8(18)4-10(6)21-14(12)13/h1-4,16-19H
IUPAC	1,3,8,9-tetrahydroxy-[1]benzofuro[3,2-c]chromen-6-one
Molecular Weight	300.03
Pubchem Id	5489605
Chembl Id	CHEMBL2089002

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
P25963	BXGT009080	NF-kappa-B inhibitor alpha	reviewed	-	NFKBIA	Inhibition	-	-	-
P14780	BXGT008053	Matrix metalloproteinase-9	reviewed	Enzyme	MMP9	Inhibition	-	-	-
Q05397	BXGT012815	Focal adhesion kinase 1	reviewed	Kinase	PTK2	Inhibition	-	-	-
P08253	BXGT006757	72 kDa type IV collagenase	reviewed	Enzyme	MMP2	Inhibition	-	-	-
P28482	BXGT009263	Mitogen-activated protein kinase 1	reviewed	Kinase	MAPK1	Inhibition	-	-	-
P27361	BXGT009176	Mitogen-activated protein kinase 3	reviewed	Kinase	MAPK3	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00968	Thalictrum longistylum	Thalictrum longistylum	Medicinal Plant
BXGF03052	Eclipta prostrata	Eclipta prostrata	Medicinal Plant
BXGF03282	Ephedra intermedia	Ephedra intermedia	Medicinal Plant
BXGF04545	Thalictrum podocarpum	Thalictrum podocarpum	Others
BXGF04651	Garcinia lucida	Garcinia lucida	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}