acompound

Showing entry for 3'-O-Methyldiplacone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0025659
Compound Name	3'-O-Methyldiplacone
Structure
Formula	C26H30O6
InchiKey	PMKNILHJZILHLN-AGBQBWRISA-N
SMILES	COc1cc(ccc1O)[C@@H]1CC(=O)c2c(O1)cc(c(c2O)C/C=C(/CCC=C(C)C)\C)O
Inchi	InChI=1S/C26H30O6/c1-15(2)6-5-7-16(3)8-10-18-20(28)13-24-25(26(18)30)21(29)14-22(32-24)17-9-11-19(27)23(12-17)31-4/h6,8-9,11-13,22,27-28,30H,5,7,10,14H2,1-4H3/b16-8+/t22-/m0/s1
IUPAC	(2S)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
Molecular Weight	438.2
Pubchem Id	14539951
Chembl Id	CHEMBL253152

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	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	-	109200	-	-
reviewed	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	149500	-	-	-

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
Q9N1N9	BXGT021115	Carboxylic ester hydrolase	unreviewed	-	BCHE	IC50	'='	24500	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'='	109200	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	Ki	'='	149500	nM
Q9N1N9	BXGT021115	Carboxylic ester hydrolase	unreviewed	-	BCHE	Ki	'='	23600	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	Inhibition	-	-	-
P08246	BXGT006756	Neutrophil elastase	reviewed	Enzyme	ELANE	Ki	'='	4300	nM
P08246	BXGT006756	Neutrophil elastase	reviewed	Enzyme	ELANE	IC50	'='	7800	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03392	Paulownia tomentosa	Paulownia tomentosa	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}