acompound

Showing entry for (+)-Usnic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0051478
Compound Name	(+)-Usnic Acid
Structure
Formula	C18H16O7
InchiKey	WEYVVCKOOFYHRW-SFHVURJKSA-N
SMILES	CC(=O)C1=C(O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O
Inchi	InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3/t18-/m0/s1
IUPAC	(9bR)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzofuran-1-one
Molecular Weight	344.09
Pubchem Id	478125
Chembl Id	CHEMBL367881

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
P09467	BXGT006893	Fructose-1,6-bisphosphatase 1	reviewed	Enzyme	FBP1	IC50	'='	371000	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	31	%
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	Inhibition	'='	70	%
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	126400	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	16400	nM
P00636	BXGT005599	Fructose-1,6-bisphosphatase 1	reviewed	-	FBP1	IC50	'='	930000	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	133000	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	Inhibition	'='	74	%
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	123700	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	2	%
P0AEK4	BXGT007320	Enoyl-[acyl-carrier-protein] reductase [NADH] FabI	reviewed	-	fabI	IC50	'='	47000	nM
P08246	BXGT006756	Neutrophil elastase	reviewed	Enzyme	ELANE	Inhibition	'='	36	%
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	4	%
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	69	%
P08246	BXGT006756	Neutrophil elastase	reviewed	Enzyme	ELANE	Inhibition	'='	22	%
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	IC50	'>'	100000	nM
P93836	BXGT012125	4-hydroxyphenylpyruvate dioxygenase	reviewed	-	HPD	IC50	'='	70	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00006	Garden onion	Allium cepa	Vegetables
BXGF04104	Helleborus niger	Helleborus niger	Medicinal Plant
BXGF04817	Euonymus alatus	Euonymus alatus	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}