acompound

Showing entry for Kadsurenone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0037456
Compound Name	Kadsurenone
Structure
Formula	C21H24O5
InchiKey	VDYACOATPFOZIO-UBWHGVKJSA-N
SMILES	C=CCC1=C[C@@]2(OC)C(=CC1=O)O[C@@H]([C@H]2C)c1ccc(c(c1)OC)OC
Inchi	InChI=1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21+/m1/s1
IUPAC	(2S,3R,3aS)-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-5-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one
Molecular Weight	356.16
Pubchem Id	122159
Chembl Id	CHEMBL296958

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	BXGT009021	Platelet-activating factor receptor	reviewed	G-protein coupled receptor	PTAFR	231	-	-	-
reviewed	BXGT009021	Platelet-activating factor receptor	reviewed	G-protein coupled receptor	PTAFR	225	-	-	-
reviewed	BXGT008663	Platelet-activating factor receptor	reviewed		PTAFR	-	150	-	-
reviewed	BXGT008663	Platelet-activating factor receptor	reviewed		PTAFR	-	200	-	-
reviewed	BXGT008663	Platelet-activating factor receptor	reviewed		PTAFR	-	120	-	-
reviewed	BXGT008663	Platelet-activating factor receptor	reviewed		PTAFR	-	240	-	-
reviewed	BXGT008663	Platelet-activating factor receptor	reviewed		PTAFR	-	100	-	-
reviewed	BXGT008663	Platelet-activating factor receptor	reviewed		PTAFR	-	3300	-	-
reviewed	BXGT006400	Prostaglandin G/H synthase 1	reviewed		PTGS1	-	25600	-	-
reviewed	BXGT011858	Prostaglandin G/H synthase 2	reviewed		PTGS2	-	246000	-	-

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
P21556	BXGT008663	Platelet-activating factor receptor	reviewed	-	PTAFR	Inhibition	'='	77	%
P79208	BXGT011858	Prostaglandin G/H synthase 2	reviewed	-	PTGS2	IC50	'='	246000	nM
P05979	BXGT006400	Prostaglandin G/H synthase 1	reviewed	-	PTGS1	IC50	'='	25600	nM
P21556	BXGT008663	Platelet-activating factor receptor	reviewed	-	PTAFR	IC50	'='	120	nM
P21556	BXGT008663	Platelet-activating factor receptor	reviewed	-	PTAFR	IC50	'='	200	nM
P21556	BXGT008663	Platelet-activating factor receptor	reviewed	-	PTAFR	Inhibition	'='	95	%
P21556	BXGT008663	Platelet-activating factor receptor	reviewed	-	PTAFR	Inhibition	'='	57	%
P21556	BXGT008663	Platelet-activating factor receptor	reviewed	-	PTAFR	IC50	'='	240	nM
P21556	BXGT008663	Platelet-activating factor receptor	reviewed	-	PTAFR	IC50	'='	150	nM
P21556	BXGT008663	Platelet-activating factor receptor	reviewed	-	PTAFR	Inhibition	'='	94	%
P21556	BXGT008663	Platelet-activating factor receptor	reviewed	-	PTAFR	Inhibition	'='	84	%
P21556	BXGT008663	Platelet-activating factor receptor	reviewed	-	PTAFR	IC50	'='	100	nM
P21556	BXGT008663	Platelet-activating factor receptor	reviewed	-	PTAFR	Inhibition	'='	68	%
P21556	BXGT008663	Platelet-activating factor receptor	reviewed	-	PTAFR	IC50	'='	3300	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01179	Forsythia japonica	Forsythia japonica	Others
BXGF04999	Castilleja sulphurea	Castilleja sulphurea	Others
BXGF05319	Lindera aggregata	Lindera aggregata	Others
BXGF05353	Piper kadsura	Piper kadsura	Others
BXGF05656	Gymnosporia trigyna	Gymnosporia trigyna	Others
BXGF06190	Dioscorea sativa	Dioscorea sativa	Human Edible Plant
BXGF06230	Huperzia miyoshiana	Huperzia miyoshiana	Others
BXGF06252	Pseudobrickellia brasiliensis	Pseudobrickellia brasiliensis	Others
BXGF06310	Rhododendron latoucheae	Rhododendron latoucheae	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}