acompound

Showing entry for 4-Hydroxy-3,5-Dimethoxy-4-(2-Oxopropyl)Cyclohexa-2,5-Dien-1-One

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0012554
Compound Name	4-Hydroxy-3,5-Dimethoxy-4-(2-Oxopropyl)Cyclohexa-2,5-Dien-1-One
Structure
Formula	C11H14O5
InchiKey	KMNCHTPRXWQOIZ-UHFFFAOYSA-N
SMILES	COC1=CC(=O)C=C(C1(O)CC(=O)C)OC
Inchi	InChI=1S/C11H14O5/c1-7(12)6-11(14)9(15-2)4-8(13)5-10(11)16-3/h4-5,14H,6H2,1-3H3
IUPAC	4-hydroxy-3,5-dimethoxy-4-(2-oxopropyl)cyclohexa-2,5-dien-1-one
Molecular Weight	226.08
Pubchem Id	241783
Chembl Id	CHEMBL477855

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
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	25929	nM
P43220	BXGT010367	Glucagon-like peptide 1 receptor	reviewed	G-protein coupled receptor	GLP1R	Potency	-	10000	nM
Q9BHT9	BXGT020096	Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	unreviewed	-	G6PD-6PGL	IC50	'>'	80000	nM
Q9BHT9	BXGT020096	Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	unreviewed	-	G6PD-6PGL	IC50	'='	5910	nM
P11413	BXGT007701	Glucose-6-phosphate 1-dehydrogenase	reviewed	Enzyme	G6PD	IC50	'='	54300	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	29092	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	4109	nM
P53350	BXGT010984	Serine/threonine-protein kinase PLK1	reviewed	Kinase	PLK1	Potency	-	37685	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	3662	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01211	Aeonium cuneatum	Aeonium cuneatum	Others
BXGF01457	Lithospermum canescens	Lithospermum canescens	Medicinal Plant
BXGF02495	Senecio flammeus	Senecio flammeus	Others
BXGF02726	Clerodendranthus spicatus	Clerodendranthus spicatus	Others
BXGF03076	Buxus wallichiana	Buxus wallichiana	Medicinal Plant
BXGF03309	Pometia eximia	Pometia eximia	Others
BXGF04366	Veratrum sabadilla	Veratrum sabadilla	Others
BXGF04949	Rhinacanthus nasutus	Rhinacanthus nasutus	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}