acompound

Showing entry for Emodinanthrone

General Compound Information
BXGC Id	BXGC0008058
Compound Name	Emodinanthrone
Structure
Formula	C15H12O4
InchiKey	LAJSXCAVRQXZIO-UHFFFAOYSA-N
SMILES	CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3CC2=C1
Inchi	InChI=1S/C15H12O4/c1-7-2-8-4-9-5-10(16)6-12(18)14(9)15(19)13(8)11(17)3-7/h2-3,5-6,16-18H,4H2,1H3
IUPAC	1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracen-9-one
Molecular Weight	256.25
Pubchem Id	122635
Chembl Id	CHEMBL122192

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

50060878

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	BXGT020448	P2Y purinoceptor 12	reviewed	G-protein coupled receptor	P2RY12	>10000	-	-	-

CHEMBL

CHEMBL122192

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
Q9H244	BXGT020448	P2Y purinoceptor 12	reviewed	G-protein coupled receptor	P2RY12	Inhibition	'='	1	%
Q9BEG3	BXGT020092	5-lipoxygenase	unreviewed	-		IC50	'='	14000	nM
Q9H244	BXGT020448	P2Y purinoceptor 12	reviewed	G-protein coupled receptor	P2RY12	Ki	'>'	10000	nM
P53396	BXGT010988	ATP-citrate synthase	reviewed	Enzyme	ACLY	Inhibition	'='	0	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00154	Garden rhubarb	Rheum rhabarbarum	Vegetables
BXGF00806	Alcoholic beverages		Beverages
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00896	Magnolia figo	Magnolia figo	Human Edible Plant
BXGF01126	Polygonum cuspidatum	Polygonum cuspidatum	Medicinal Plant
BXGF01356	Senna occidentalis	Senna occidentalis	Medicinal Plant
BXGF01511	Rumex crispus	Rumex crispus	Medicinal Plant
BXGF01529	Rhamnus davurica	Rhamnus davurica	Medicinal Plant
BXGF02566	Fridericia triplinervia	Fridericia triplinervia	Others
BXGF02662	Rheum wittrocki	Rheum wittrocki	Medicinal Plant
BXGF02737	Artemisia scoparia	Artemisia scoparia	Medicinal Plant
BXGF02817	Garcinia polyantha	Garcinia polyantha	Medicinal Plant
BXGF03158	Rheum officinale	Rheum officinale	Medicinal Plant
BXGF03583	Epimedium koreanum	Epimedium koreanum	Medicinal Plant
BXGF03698	Myrsine africana	Myrsine africana	Medicinal Plant
BXGF03855	Rumex dentatus	Rumex dentatus	Medicinal Plant
BXGF04064	Rumex japonicus	Rumex japonicus	Medicinal Plant
BXGF04351	Baccharis potosina	Baccharis potosina	Others
BXGF04395	Maclura tinctoria	Maclura tinctoria	Medicinal Plant
BXGF04438	Stevia berlandieri	Stevia berlandieri	Others
BXGF04499	Ravenia spectabilis	Ravenia spectabilis	Others
BXGF04539	Rheum palmatum	Rheum palmatum	Medicinal Plant
BXGF04881	Fallopia multiflora	Fallopia multiflora	Medicinal Plant
BXGF04936	Cassia occidentalis	Cassia occidentalis	Medicinal Plant
BXGF04956	Rhamnus frangula	Rhamnus frangula	Medicinal Plant
BXGF04990	Cassia tora	Cassia tora	Medicinal Plant
BXGF05192	Frangula purshiana	Frangula purshiana	Medicinal Plant
BXGF05224	Cranfillia fluviatilis	Cranfillia fluviatilis	Medicinal Plant
BXGF05524	Rumex nepalensis	Rumex nepalensis	Medicinal Plant
BXGF05728	Persicaria perfoliata	Persicaria perfoliata	Medicinal Plant
BXGF05877	Rheum tanguticum	Rheum tanguticum	Medicinal Plant
BXGF05886	Senna tora	Senna tora	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}