Muscarine

Representations & DB's id
ChEBI:	CHEBI:7034
ChEMBL:	CHEMBL12587
PubChem:	9308
IUPAC:	[(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium
Standard InChI:	InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1
Standard InChI Key:	UQOFGTXDASPNLL-XHNCKOQMSA-N
SMILES:	O[C@@H]1C[C@H](O[C@H]1C)C[N+](C)(C)C

Molecular propeties
AlogP:	0.23
Hydrogen bonds acceptors:	2
Hydrogen bonds donors:	1
Rotatable bonds:	2
Number of rings:	1
Molecular Weight:	174.15
Topological polar surface area:	29.5
Number of aromatic rings:	0
Fsp3:	1
Number of carbons:	9

Plant sources

Part of plant	Plant name	Ref.
Semen	Cannabis sativa

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.
Ki	56 nM	Muscarinic acetylcholine receptor M1	P11229
Ki	25 nM	Muscarinic acetylcholine receptor M2	P08172
Ki	72 nM	Muscarinic acetylcholine receptor M2	P08172
Ki	1400 nM	Muscarinic acetylcholine receptor M4	P08173
Ki	23 nM	Muscarinic acetylcholine receptor M4	P08173
Others	15 %	Muscarinic acetylcholine receptor M1	P11229
Ki	75 nM	Muscarinic acetylcholine receptor M2	P08172
IC50	449 nM	Muscarinic acetylcholine receptor M2	P08172
IC50	3900 nM	Muscarinic acetylcholine receptor M2	P08172
Ki	18197.01 nM	Muscarinic acetylcholine receptor M1	P11229
Ki	489.78 nM	Muscarinic acetylcholine receptor M2	P08172
Potency	7943.3 nM	Thyroid stimulating hormone receptor	P16473
Potency	92 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Potency	15848.9 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7