Molecule

Fagomine

AlkaPlorer ID: AK004769

Synonym: '', '3-epifagomine', '3-epi-fagomine', '(-)-3,4-di-epi-fagomine', 'Fagomine', '3,4-di-epi-fagomine', '3-epi-Fagomine'

IUPAC Name: (2S,3S,4R)-2-(hydroxymethyl)piperidine-3,4-diol

SMILES: OC[C@@H]1NCC[C@@H](O)[C@H]1O

InChI: InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5+,6-/m0/s1

InChIKey: YZNNBIPIQWYLDM-JKUQZMGJSA-N

PubChem CID: 11389465

NPASS: NPC143809

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Morus alba	Morus	Moraceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Morus mongolica	Morus	Moraceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 147.174

TPSA？: 72.72

MolLogP？: -1.937599999999999

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bos taurus	Alpha-L-fucosidase 1	IC50	260000.0	nM	10.1016/j.bmc.2011.04.011
Bos taurus	Beta-galactosidase	IC50	960000.0	nM	10.1016/j.bmc.2011.04.011
Bos taurus	Glucosylceramidase	Inhibition	50.0	%	10.1016/j.bmc.2011.04.011
Homo sapiens	Beta-glucocerebrosidase	Inhibition	50.0	%	10.1016/j.bmc.2011.04.011
Homo sapiens	Beta-glucosidase	IC50	30000.0	nM	10.1021/ml200050s
Mus musculus	Ceramide glucosyltransferase	IC50	10000.0	nM	10.1021/ml200050s
Mus musculus	Ceramide glucosyltransferase	Inhibition	nan	%	10.1021/ml200050s
Rattus norvegicus	Lactase-glycosylceramidase	IC50	122000.0	nM	10.1016/j.bmc.2011.04.011
Rattus norvegicus	Sucrase-isomaltase	IC50	225000.0	nM	10.1016/j.bmc.2011.04.011
Rattus norvegicus	Sucrase-isomaltase	Inhibition	50.0	%	10.1016/j.bmc.2011.04.011
None	Unchecked	IC50	188000.0	nM	10.1016/j.bmc.2011.04.011
None	Unchecked	IC50	357000.0	nM	10.1016/j.bmc.2011.04.011
None	Unchecked	IC50	809000.0	nM	10.1016/j.bmc.2011.04.011
None	Unchecked	IC50	1000000.0	nM	10.1021/ml200050s
None	Unchecked	Inhibition	50.0	%	10.1016/j.bmc.2011.04.011