acompound

Showing entry for 7-demethylsuberosin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0052944
Compound Name	7-demethylsuberosin
Structure
Formula	C14H14O3
InchiKey	FIDUIAPDSKSUGO-UHFFFAOYSA-N
SMILES	CC(=CCc1cc2ccc(=O)oc2cc1O)C
Inchi	InChI=1S/C14H14O3/c1-9(2)3-4-10-7-11-5-6-14(16)17-13(11)8-12(10)15/h3,5-8,15H,4H2,1-2H3
IUPAC	7-hydroxy-6-(3-methylbut-2-enyl)chromen-2-one
Molecular Weight	230.09
Pubchem Id	5316525
Chembl Id	CHEMBL502689

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	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	-	412900	-	-
reviewed	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	-	2400000	-	-

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
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'='	2400000	nM
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	IC50	'='	412900	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02511	Citropsis articulata	Citropsis articulata	Human Edible Plant
BXGF02635	Ephedra sinica	Ephedra sinica	Medicinal Plant
BXGF02647	Citrus tamurana	Citrus tamurana	Others
BXGF02852	Sophora flavescens	Sophora flavescens	Medicinal Plant
BXGF03774	Citrus rugulosa	Citrus rugulosa	Others
BXGF03888	Angelica dahurica	Angelica dahurica	Medicinal Plant
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF06243	Bauhinia racemosa	Bauhinia racemosa	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}