acompound

Showing entry for Casimiroin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0005344
Compound Name	Casimiroin
Structure
Formula	C12H11NO4
InchiKey	DPXXJCMMMXZVSW-UHFFFAOYSA-N
SMILES	COC1=CC(=O)N(C)C2=C1C=CC1=C2OCO1
Inchi	InChI=1S/C12H11NO4/c1-13-10(14)5-9(15-2)7-3-4-8-12(11(7)13)17-6-16-8/h3-5H,6H2,1-2H3
IUPAC	6-methoxy-9-methyl-2H,8H,9H-[1,3]dioxolo[4,5-h]quinolin-8-one
Molecular Weight	233.22
Pubchem Id	124075
Chembl Id	CHEMBL492762

Targets of Information Source

DrugBank

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
P16083	BXGT008187	Ribosyldihydronicotinamide dehydrogenase [quinone]	reviewed	-	NQO2	experimental	-

PDB

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
P16083	BXGT008187	Ribosyldihydronicotinamide dehydrogenase [quinone]	reviewed	NQO2	-	-	54100	-	-

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	BXGT008187	Ribosyldihydronicotinamide dehydrogenase [quinone]	reviewed		NQO2	-	54100	-	-
reviewed	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	-	3920	-	-

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
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	IC50	'='	3920	nM
P16083	BXGT008187	Ribosyldihydronicotinamide dehydrogenase [quinone]	reviewed	-	NQO2	IC50	'='	54100	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00808	Pomes		Fruits
BXGF02070	Espeletiopsis purpurascens	Espeletiopsis purpurascens	Others
BXGF02480	Amomum reticulatum	Amomum reticulatum	Others
BXGF02969	Plectranthus hereroensis	Plectranthus hereroensis	Others
BXGF03639	Caralluma russeliana	Caralluma russeliana	Others
BXGF03657	Dalbergia monetaria	Dalbergia monetaria	Medicinal Plant
BXGF03676	Ursinia anthemoides	Ursinia anthemoides	Others
BXGF03682	Imperata cylindrica	Imperata cylindrica	Medicinal Plant
BXGF03716	Polypodium aureum	Polypodium aureum	Others
BXGF03733	Alpinia officinarum	Alpinia officinarum	Medicinal Plant
BXGF03756	Casimiroa edulis	Casimiroa edulis	Medicinal Plant
BXGF03792	Helianthus californicus	Helianthus californicus	Others
BXGF05827	Spiraea prunifolia	Spiraea prunifolia	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}