acompound

Showing entry for Murralongin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0022777
Compound Name	Murralongin
Structure
Formula	C15H14O4
InchiKey	PBAZKMWQUBDDLZ-UHFFFAOYSA-N
SMILES	O=CC(=C(C)C)c1c(OC)ccc2c1oc(=O)cc2
Inchi	InChI=1S/C15H14O4/c1-9(2)11(8-16)14-12(18-3)6-4-10-5-7-13(17)19-15(10)14/h4-8H,1-3H3
IUPAC	2-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-2-enal
Molecular Weight	258.09
Pubchem Id	179620
Chembl Id	CHEMBL1098016

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	BXGT005689	Carbonic anhydrase 1	reviewed		CA1	9110	-	-	-
reviewed	BXGT018499	Carbonic anhydrase 13	reviewed		CA13	8890	-	-	-
reviewed	BXGT010364	Carbonic anhydrase 7	reviewed		CA7	8850	-	-	-
reviewed	BXGT013670	Carbonic anhydrase 9	reviewed		CA9	8120	-	-	-
reviewed	BXGT004601	Carbonic anhydrase 12	reviewed		CA12	7440	-	-	-

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	'='	8890	nM
P43166	BXGT010364	Carbonic anhydrase 7	reviewed	-	CA7	Ki	'='	8850	nM
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Ki	'='	9110	nM
O43570	BXGT004601	Carbonic anhydrase 12	reviewed	-	CA12	Ki	'='	7440	nM
Q16790	BXGT013670	Carbonic anhydrase 9	reviewed	-	CA9	Ki	'='	8120	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
BXGF03890	Boenninghausenia albiflora	Boenninghausenia albiflora	Medicinal Plant
BXGF04382	Murraya paniculata	Murraya paniculata	Medicinal Plant
BXGF05044	murraya alata	murraya alata	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}