acompound

Showing entry for 5-Methoxy-2,2-Dimethyl-6-[(1E)-3-Methylbuta-1,3-Dienyl]Pyrano[2,3-H]Chromen-8-One

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0046948
Compound Name	5-Methoxy-2,2-Dimethyl-6-[(1E)-3-Methylbuta-1,3-Dienyl]Pyrano[2,3-H]Chromen-8-One
Structure
Formula	C20H20O4
InchiKey	AKGXRWOSGJLLNQ-VOTSOKGWSA-N
SMILES	COc1c2C=CC(Oc2c2c(c1/C=C/C(=C)C)oc(=O)cc2)(C)C
Inchi	InChI=1S/C20H20O4/c1-12(2)6-7-13-17(22-5)15-10-11-20(3,4)24-19(15)14-8-9-16(21)23-18(13)14/h6-11H,1H2,2-5H3/b7-6+
IUPAC	5-methoxy-2,2-dimethyl-6-[(1E)-3-methylbuta-1,3-dienyl]pyrano[2,3-h]chromen-8-one
Molecular Weight	324.14
Pubchem Id	5321265
Chembl Id	CHEMBL2334004

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	BXGT005690	Carbonic anhydrase 2	reviewed		CA2	>100000	-	-	-
reviewed	BXGT018499	Carbonic anhydrase 13	reviewed		CA13	45000	-	-	-
reviewed	BXGT005689	Carbonic anhydrase 1	reviewed		CA1	7660	-	-	-
reviewed	BXGT004601	Carbonic anhydrase 12	reviewed		CA12	790	-	-	-
reviewed	BXGT010364	Carbonic anhydrase 7	reviewed		CA7	650	-	-	-
reviewed	BXGT013670	Carbonic anhydrase 9	reviewed		CA9	620	-	-	-

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
Q8N1Q1	BXGT018499	Carbonic anhydrase 13	reviewed	-	CA13	Ki	'='	45000	nM
Q16790	BXGT013670	Carbonic anhydrase 9	reviewed	-	CA9	Ki	'='	620	nM
P43166	BXGT010364	Carbonic anhydrase 7	reviewed	-	CA7	Ki	'='	650	nM
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Ki	'='	7660	nM
O43570	BXGT004601	Carbonic anhydrase 12	reviewed	-	CA12	Ki	'='	790	nM
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Ki	'>'	100000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02746	Zanthoxylum avicennae	Zanthoxylum avicennae	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}