acompound

Showing entry for Nepodin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0020673
Compound Name	Nepodin
Structure
Formula	C13H12O3
InchiKey	DMLHPCALHMPJHS-UHFFFAOYSA-N
SMILES	CC(=O)c1c(C)cc2c(c1O)c(O)ccc2
Inchi	InChI=1S/C13H12O3/c1-7-6-9-4-3-5-10(15)12(9)13(16)11(7)8(2)14/h3-6,15-16H,1-2H3
IUPAC	1-(1,8-dihydroxy-3-methylnaphthalen-2-yl)ethanone
Molecular Weight	216.08
Pubchem Id	100780
Chembl Id	CHEMBL508681

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	BXGT006400	Prostaglandin G/H synthase 1	reviewed		PTGS1	-	27430	-	-
reviewed	BXGT011858	Prostaglandin G/H synthase 2	reviewed		PTGS2	-	32280	-	-

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
P05979	BXGT006400	Prostaglandin G/H synthase 1	reviewed	-	PTGS1	Inhibition	'='	68	%
P79208	BXGT011858	Prostaglandin G/H synthase 2	reviewed	-	PTGS2	IC50	'='	32280	nM
P79208	BXGT011858	Prostaglandin G/H synthase 2	reviewed	-	PTGS2	Inhibition	'='	59	%
P05979	BXGT006400	Prostaglandin G/H synthase 1	reviewed	-	PTGS1	IC50	'='	27430	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01541	Rumex patientia	Rumex patientia	Medicinal Plant
BXGF01955	Rumex obtusifolius	Rumex obtusifolius	Medicinal Plant
BXGF03855	Rumex dentatus	Rumex dentatus	Medicinal Plant
BXGF03938	Nepeta cataria	Nepeta cataria	Medicinal Plant
BXGF04064	Rumex japonicus	Rumex japonicus	Medicinal Plant
BXGF04109	Saussurea costus	Saussurea costus	Medicinal Plant
BXGF04956	Rhamnus frangula	Rhamnus frangula	Medicinal Plant
BXGF05524	Rumex nepalensis	Rumex nepalensis	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}