acompound

General Compound Information
BXGC Id	BXGC0003810
Compound Name	Cirsilion
Structure
Formula	C17H14O7
InchiKey	IMEYGBIXGJLUIS-UHFFFAOYSA-N
SMILES	COC1=CC2=C(C(=O)C=C(O2)C2=CC(O)=C(O)C=C2)C(O)=C1OC
Inchi	InChI=1S/C17H14O7/c1-22-14-7-13-15(16(21)17(14)23-2)11(20)6-12(24-13)8-3-4-9(18)10(19)5-8/h3-7,18-19,21H,1-2H3
IUPAC	2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-chromen-4-one
Molecular Weight	330.29
Pubchem Id	160237
Chembl Id	CHEMBL72637

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	BXGT007824	Arachidonate 5-lipoxygenase	reviewed		Alox5	-	95	-	-
reviewed	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	>800	-	-	-
reviewed	BXGT013656	Cytochrome P450 1B1	reviewed	Enzyme	CYP1B1	>800	-	-	-
reviewed	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed		Akr1b1	-	169.82	-	-

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
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	Inhibition	'='	0	%
Q16678	BXGT013656	Cytochrome P450 1B1	reviewed	Enzyme	CYP1B1	Ki	'>'	800	nM
P07943	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed	-	Akr1b1	IC50	'='	169	nM
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	Activity	'='	16	%
P12527	BXGT007824	Arachidonate 5-lipoxygenase	reviewed	-	Alox5	IC50	'='	95	nM
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	Ki	'>'	800	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00010	Lemon verbena	Aloysia triphylla	Herbs and Spices
BXGF00159	Rosemary	Rosmarinus officinalis	Herbs and Spices
BXGF00165	Common sage	Salvia officinalis	Herbs and Spices
BXGF00422	Mamey sapote	Pouteria sapota	Fruits
BXGF00948	Artemisia apiacea	Artemisia apiacea	Medicinal Plant
BXGF01065	Artemisia capillaris	Artemisia capillaris	Medicinal Plant
BXGF01109	Styrax benzoin	Styrax benzoin	Medicinal Plant
BXGF01748	Dacryodes normandii	Dacryodes normandii	Others
BXGF01750	Leucaena leucocephala	Leucaena leucocephala	Medicinal Plant
BXGF01790	Riccia fluitans	Riccia fluitans	Others
BXGF01952	Senecio microglossus	Senecio microglossus	Others
BXGF02118	Polygonatum prattii	Polygonatum prattii	Medicinal Plant
BXGF02175	Micromeria japonica	Micromeria japonica	Others
BXGF02245	Peperomia villipetiola	Peperomia villipetiola	Others
BXGF02272	Muraltia heisteria	Muraltia heisteria	Medicinal Plant
BXGF02311	Cirsium chinense	Cirsium chinense	Medicinal Plant
BXGF02406	Selaginella apoda	Selaginella apoda	Others
BXGF02526	Santalum album	Santalum album	Medicinal Plant
BXGF03432	Chrysanthemum indicum	Chrysanthemum indicum	Medicinal Plant
BXGF04271	Artemisia annua	Artemisia annua	Medicinal Plant
BXGF05261	Artemisia chinensis	Artemisia chinensis	Medicinal Plant
BXGF05639	Mulguraea tridens	Mulguraea tridens	Others
BXGF05700	Crepis pygmaea	Crepis pygmaea	Others
BXGF06038	Eupatorium lindleyanum	Eupatorium lindleyanum	Medicinal Plant
BXGF06218	Siphocampylus foliosus	Siphocampylus foliosus	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}