acompound

Showing entry for Mesuagenin D

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0044788
Compound Name	Mesuagenin D
Structure
Formula	C30H36O6
InchiKey	PABMLJMVAOFHKY-UHFFFAOYSA-N
SMILES	CC(CCC(C1(C)Oc2c(C1)c(O)c(c1c2c(cc(=O)o1)c1ccccc1)C(=O)CC(C)C)(O)C)C
Inchi	InChI=1S/C30H36O6/c1-17(2)12-13-29(5,34)30(6)16-21-26(33)25(22(31)14-18(3)4)28-24(27(21)36-30)20(15-23(32)35-28)19-10-8-7-9-11-19/h7-11,15,17-18,33-34H,12-14,16H2,1-6H3
IUPAC	4-hydroxy-2-(2-hydroxy-5-methylhexan-2-yl)-2-methyl-5-(3-methylbutanoyl)-9-phenyl-3H-furo[2,3-f]chromen-7-one
Molecular Weight	492.25
Pubchem Id	52945557
Chembl Id	CHEMBL1277681

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	BXGT004559	Acetylcholinesterase	reviewed		ache	-	8730	-	-

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
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	IC50	'='	8730	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05333	Mesua elegans	Mesua elegans	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}