acompound

Showing entry for Microgrewiapine A 3-Acetate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0045089
Compound Name	Microgrewiapine A 3-Acetate
Structure
Formula	C19H31NO2
InchiKey	JMQLJAPSKRBPMT-YFKNEZHJSA-N
SMILES	CCCC/C=C/C=C/C=C/[C@@H]1CC[C@H]([C@@H](N1C)C)OC(=O)C
Inchi	InChI=1S/C19H31NO2/c1-5-6-7-8-9-10-11-12-13-18-14-15-19(22-17(3)21)16(2)20(18)4/h8-13,16,18-19H,5-7,14-15H2,1-4H3/b9-8+,11-10+,13-12+/t16-,18+,19+/m0/s1
IUPAC
Molecular Weight	305.24
Pubchem Id	71578973
Chembl Id	CHEMBL2334873

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

n.a

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

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
P43681	BXGT010407	Neuronal acetylcholine receptor subunit alpha-4	reviewed	Ion channel	CHRNA4	Inhibition	'='	44	%
P17787	BXGT008341	Neuronal acetylcholine receptor subunit beta-2	reviewed	Ion channel	CHRNB2	Inhibition	'='	44	%
P32297	BXGT009616	Neuronal acetylcholine receptor subunit alpha-3	reviewed	Ion channel	CHRNA3	Inhibition	-	-	-
P30926	BXGT009482	Neuronal acetylcholine receptor subunit beta-4	reviewed	Ion channel	CHRNB4	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03660	Microcos paniculata	Microcos paniculata	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}