acompound

Showing entry for Demethyleucomin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0036733
Compound Name	Demethyleucomin
Structure
Formula	C16H12O5
InchiKey	PKCWSPYCHMNVKB-BJMVGYQFSA-N
SMILES	Oc1ccc(cc1)/C=C/1\COc2c(C1=O)c(O)cc(c2)O
Inchi	InChI=1S/C16H12O5/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-7,17-19H,8H2/b10-5+
IUPAC	(3E)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylidene]chromen-4-one
Molecular Weight	284.07
Pubchem Id	15484393
Chembl Id	CHEMBL1077616

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	BXGT009172	Amine oxidase [flavin-containing] B	reviewed		MAOB	-	8.61	-	-
reviewed	BXGT008644	Amine oxidase [flavin-containing] A	reviewed		MAOA	-	11460	-	-

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
P21397	BXGT008644	Amine oxidase [flavin-containing] A	reviewed	-	MAOA	Inhibition	'='	68	%
P27338	BXGT009172	Amine oxidase [flavin-containing] B	reviewed	-	MAOB	IC50	'='	8709	nM
P21397	BXGT008644	Amine oxidase [flavin-containing] A	reviewed	-	MAOA	IC50	'='	11460	nM
P27338	BXGT009172	Amine oxidase [flavin-containing] B	reviewed	-	MAOB	Inhibition	'='	36	%
P21397	BXGT008644	Amine oxidase [flavin-containing] A	reviewed	-	MAOA	Inhibition	'='	61	%
P27338	BXGT009172	Amine oxidase [flavin-containing] B	reviewed	-	MAOB	Inhibition	'='	48	%
P27338	BXGT009172	Amine oxidase [flavin-containing] B	reviewed	-	MAOB	IC50	'='	8	nM
P27338	BXGT009172	Amine oxidase [flavin-containing] B	reviewed	-	MAOB	Activity	'='	-1	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04303	Anemarrhena asphodeloides	Anemarrhena asphodeloides	Medicinal Plant
BXGF05047	bellevalia eigii	bellevalia eigii	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}