acompound

Showing entry for Monodictyphenone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0020829
Compound Name	Monodictyphenone
Structure
Formula	C15H12O6
InchiKey	UMNWQJSVQOCNEM-UHFFFAOYSA-N
SMILES	Cc1cc(O)c(c(c1)C(=O)O)C(=O)c1c(O)cccc1O
Inchi	InChI=1S/C15H12O6/c1-7-5-8(15(20)21)12(11(18)6-7)14(19)13-9(16)3-2-4-10(13)17/h2-6,16-18H,1H3,(H,20,21)
IUPAC
Molecular Weight	288.06
Pubchem Id	16114922
Chembl Id	CHEMBL373394

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	BXGT010568	Quinone oxidoreductase	reviewed		Cryz	-	>50000	-	-

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
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	Inhibition	'='	25	%
P47199	BXGT010568	Quinone oxidoreductase	reviewed	-	Cryz	IC50	'>'	50000	nM
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	Inhibition	'<'	50	%
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	Inhibition	'='	28	%
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	Inhibition	'='	28	%
P47199	BXGT010568	Quinone oxidoreductase	reviewed	-	Cryz	Activity	'>'	50	uM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02772	Alstonia scholaris	Alstonia scholaris	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}