Molecule

2-{[(2-hydroxy-1-phenylethyl)amino]methyl}pyrrolidine-3,4-diol

AlkaPlorer ID: AK005546

Synonym: None

IUPAC Name: (2R,3R,4S)-2-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol

Structure

SMILES: OC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)C1=CC=CC=C1

InChI: InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11+,12+,13-/m1/s1

InChIKey: OGMKEJTXCCFISS-MROQNXINSA-N

Reference

PubChem CID: 11425273

NPASS: NPC101139

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Garcinia multiflora	Garcinia	Clusiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 252.31400000000005

TPSA？: 84.75

MolLogP？: -0.9967999999999984

Number of H-Donors: 5

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Glycine max	Alpha-mannosidase	IC50	700.0	nM	10.1021/jm0409019
Glycine max	Alpha-mannosidase	IC50	46000.0	nM	10.1021/jm0409019
Glycine max	Alpha-mannosidase	Inhibition	93.0	%	10.1021/jm0409019
Glycine max	Alpha-mannosidase	Inhibition	100.0	%	10.1021/jm0409019
Glycine max	Alpha-mannosidase	Ki	135.0	nM	10.1021/jm0409019
Glycine max	Alpha-mannosidase	Ki	9500.0	nM	10.1021/jm0409019
Homo sapiens	Alpha-mannosidase 2A1	Ki	26930.0	nM	10.1016/j.bmc.2012.10.011
Homo sapiens	Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase	Ki	16810.0	nM	10.1016/j.bmc.2012.10.011
Homo sapiens	Lysosomal alpha-mannosidase	IC50	25000.0	nM	10.1016/j.bmc.2008.06.021
Homo sapiens	Lysosomal alpha-mannosidase	IC50	50000.0	nM	10.1016/j.bmc.2008.06.021
Homo sapiens	Lysosomal alpha-mannosidase	Ki	23300.0	nM	10.1016/j.bmc.2008.06.021
Homo sapiens	Lysosomal alpha-mannosidase	Ki	32500.0	nM	10.1016/j.bmc.2008.06.021
Homo sapiens	Lysosomal alpha-mannosidase	Ki	41500.0	nM	10.1016/j.bmc.2008.06.021
None	NON-PROTEIN TARGET	Growth inhibition	0.0	None	10.1021/jm0409019
None	NON-PROTEIN TARGET	Growth inhibition	5.0	None	10.1021/jm0409019
None	NON-PROTEIN TARGET	Growth inhibition	8.0	None	10.1021/jm0409019
None	NON-PROTEIN TARGET	Growth inhibition	12.0	None	10.1021/jm0409019
None	NON-PROTEIN TARGET	Growth inhibition	13.0	None	10.1021/jm0409019
None	NON-PROTEIN TARGET	Growth inhibition	15.0	None	10.1021/jm0409019
None	NON-PROTEIN TARGET	Growth inhibition	16.0	None	10.1021/jm0409019
None	NON-PROTEIN TARGET	Growth inhibition	19.0	None	10.1021/jm0409019
None	NON-PROTEIN TARGET	Growth inhibition	22.0	None	10.1021/jm0409019
None	NON-PROTEIN TARGET	Growth inhibition	23.0	None	10.1021/jm0409019
None	NON-PROTEIN TARGET	Growth inhibition	25.0	None	10.1021/jm0409019
None	NON-PROTEIN TARGET	Growth inhibition	26.0	None	10.1021/jm0409019
None	Unchecked	IC50	700.0	nM	10.1016/j.bmc.2008.06.021
None	Unchecked	IC50	80000.0	nM	10.1016/j.bmc.2008.06.021
None	Unchecked	IC50	75335556.37	nM	10.1016/j.bmc.2012.10.011
None	Unchecked	Inhibition	93.0	%	10.1016/j.bmc.2012.10.011
None	Unchecked	Ki	135.0	nM	10.1016/j.bmc.2008.06.021
None	Unchecked	Ki	67000.0	nM	10.1016/j.bmc.2008.06.021