acompound

Showing entry for Kurarinone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0050739
Compound Name	Kurarinone
Structure
Formula	C26H30O6
InchiKey	LTTQKYMNTNISSZ-KESSSICBSA-N
SMILES	COc1cc(O)c(c2c1C(=O)C[C@H](O2)c1ccc(cc1O)O)CC(C(=C)C)CC=C(C)C
Inchi	InChI=1S/C26H30O6/c1-14(2)6-7-16(15(3)4)10-19-21(29)12-24(31-5)25-22(30)13-23(32-26(19)25)18-9-8-17(27)11-20(18)28/h6,8-9,11-12,16,23,27-29H,3,7,10,13H2,1-2,4-5H3/t16?,23-/m0/s1
IUPAC	(2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one
Molecular Weight	438.2
Pubchem Id	10812923
Chembl Id	CHEMBL243796

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	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	-	3300	-	-
reviewed	BXGT009556	Sodium/glucose cotransporter 2	reviewed	Transporter	SLC5A2	-	1700	-	-
reviewed	BXGT007963	Sodium/glucose cotransporter 1	reviewed	Transporter	SLC5A1	-	10400	-	-
reviewed	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	-	600	-	-
reviewed	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	-	-	-	4600
reviewed	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	-	-	-	1660
reviewed	BXGT020310	Diacylglycerol O-acyltransferase 1	reviewed		Dgat1	-	10900	-	-
reviewed	BXGT009855	Sterol O-acyltransferase 1	reviewed	Enzyme	SOAT1	-	10900	-	-

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
Q9ERM3	BXGT020310	Diacylglycerol O-acyltransferase 1	reviewed	-	Dgat1	IC50	'='	10900	nM
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	EC50	'='	1660	nM
P13866	BXGT007963	Sodium/glucose cotransporter 1	reviewed	Transporter	SLC5A1	Inhibition	'='	98	%
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	IC50	'='	600	nM
P13866	BXGT007963	Sodium/glucose cotransporter 1	reviewed	Transporter	SLC5A1	IC50	'='	10400	nM
P31639	BXGT009556	Sodium/glucose cotransporter 2	reviewed	Transporter	SLC5A2	IC50	'='	1700	nM
P31639	BXGT009556	Sodium/glucose cotransporter 2	reviewed	Transporter	SLC5A2	Inhibition	'='	99	%
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	EC50	'='	4600	nM
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	Activity	-	-	-
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	Activity	'='	51	%
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	Ki	'='	7200	nM
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	IC50	'='	3300	nM
P35610	BXGT009855	Sterol O-acyltransferase 1	reviewed	Enzyme	SOAT1	IC50	'='	10900	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02852	Sophora flavescens	Sophora flavescens	Medicinal Plant
BXGF03086	Sophora alopecuroides	Sophora alopecuroides	Medicinal Plant
BXGF05890	Sophora tonkinensis	Sophora tonkinensis	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}