Hyoscyamine

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL2449003
PubChem:	154417
IUPAC:	[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
Standard InChI:	InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1
Standard InChI Key:	RKUNBYITZUJHSG-VFSICIBPSA-N
SMILES:	OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C

Molecular propeties
AlogP:	1.93
Hydrogen bonds acceptors:	4
Hydrogen bonds donors:	1
Rotatable bonds:	4
Number of rings:	3
Molecular Weight:	289.17
Topological polar surface area:	49.8
Number of aromatic rings:	1
Fsp3:	0.588
Number of carbons:	17

Plant sources

Activity Type	Activity Value	Target Name	UniProt ID
Potency	1031.8 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Potency	183.6 nM	Geminin	O75496
Potency	39810.7 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	35481.3 nM	Prelamin-A/C	P02545
Potency	1412.5 nM	Bloom syndrome protein	P54132
Potency	1412.5 nM	Bloom syndrome protein	P54132
Potency	5011.9 nM	DNA polymerase beta	P06746
Potency	9.5 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Others	2	Cytochrome P450 2C19	P33261
Ki	0.14 nM	Muscarinic acetylcholine receptor M5	P08912
Ki	0.3388 nM	Muscarinic acetylcholine receptor M5	P08912
Ki	0.2692 nM	Muscarinic acetylcholine receptor M3	P20309
Ki	0.2692 nM	Muscarinic acetylcholine receptor M1	P11229
Ki	0.34 nM	Muscarinic acetylcholine receptor M5	P08912
Ki	0.27 nM	Muscarinic acetylcholine receptor M3	P20309
Ki	0.27 nM	Muscarinic acetylcholine receptor M1	P11229
Ki	5.012 nM	Muscarinic acetylcholine receptor M2	P08172
Ki	12.88 nM	Muscarinic acetylcholine receptor M2	P08172
Ki	3.631 nM	Muscarinic acetylcholine receptor M2	P08172
Ki	2.818 nM	Muscarinic acetylcholine receptor M2	P08172
Ki	3.02 nM	Muscarinic acetylcholine receptor M5	P08912