Molecule

Fagomine

AlkaPlorer ID: AK004771

Synonym: None

IUPAC Name: (2R,3R,4R)-2-(hydroxymethyl)piperidin-1-ium-3,4-diol

Structure

SMILES: OC[C@H]1[NH2+]CC[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/p+1/t4-,5-,6-/m1/s1

InChIKey: YZNNBIPIQWYLDM-HSUXUTPPSA-O

Reference

Detection of polyhydroxyalkaloids in<i> Lonchocarpus</i> extracts by GC‐MS of acetylated derivatives

PubChem CID: 23246647

LOTUS: LTS0252575

SuperNatural Ⅲ: SN0464469-02

NPASS: NPC76726

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Santolina pectinata	Santolina	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Castanospermum australe	Castanospermum	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Morus alba	Morus	Moraceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Helichrysum drakensbergense	Helichrysum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Piper divaricatum	Piper	Piperaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Erythrina speciosa	Erythrina	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Prunus prostrata	Prunus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Prosopis africana	Prosopis	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Richteria pyrethroides	Richteria	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Aglaonema	Araceae	Alismatales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Xanthocercis zambesiaca	Xanthocercis	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Commiphora sphaerocarpa	Commiphora	Burseraceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Plakortis angulospiculatus	Plakortis	Plakinidae	Homosclerophorida	Homoscleromorpha	Porifera	Metazoa	Eukaryota
Morus bombycis	Morus	Moraceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 148.18200000000002

TPSA？: 77.30000000000001

MolLogP？: -2.9637999999999987

Number of H-Donors: 4

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bos taurus	Alpha-glucosidase	IC50	520000.0	nM	10.1021/jm00048a006
Bos taurus	Alpha-L-fucosidase 1	Inhibition	50.0	%	10.1016/j.bmc.2011.04.011
Bos taurus	Beta-galactosidase	IC50	38000.0	nM	10.1016/j.bmc.2011.04.011
Bos taurus	Beta-galactosidase	IC50	38000.0	nM	10.1021/jm00048a006
Bos taurus	Beta-galactosidase	IC50	nan	nM	10.1021/jm00048a006
Bos taurus	Glucosylceramidase	IC50	250000.0	nM	10.1016/j.bmc.2011.04.011
Caldicellulosiruptor saccharolyticus	Beta-glucosidase A	IC50	nan	nM	10.1021/jm00048a006
Homo sapiens	Alpha-L-fucosidase I	IC50	140000.0	nM	10.1021/jm00048a006
Homo sapiens	Beta-glucocerebrosidase	Activity	nan	None	10.1016/S0960-894X(00)80648-4
Homo sapiens	Beta-glucocerebrosidase	Inhibition	50.0	%	10.1016/j.bmc.2008.06.026
Homo sapiens	Beta-glucocerebrosidase	Inhibition	50.0	%	10.1016/j.bmc.2011.04.011
Homo sapiens	Beta-glucosidase	IC50	1000000.0	nM	10.1021/ml200050s
Homo sapiens	Histone deacetylase 6	Inhibition	-24.38	%	10.6019/CHEMBL4808148
Homo sapiens	Histone deacetylase 6	Inhibition	-1.49	%	10.6019/CHEMBL4808148
Homo sapiens	Lysosomal alpha-glucosidase	Inhibition	50.0	%	10.1016/j.bmc.2008.06.026
Homo sapiens	Neutral alpha-glucosidase AB	Activity	nan	None	10.1016/S0960-894X(00)80648-4
Homo sapiens	Neutral alpha-glucosidase AB	IC50	1000000.0	nM	10.1021/jm00048a006
Homo sapiens	Neutral alpha-glucosidase AB	IC50	nan	nM	10.1021/jm00048a006
Mus musculus	Ceramide glucosyltransferase	IC50	10000.0	nM	10.1021/ml200050s
Mus musculus	Ceramide glucosyltransferase	Inhibition	nan	%	10.1021/ml200050s
Mus musculus	Mus musculus	Activity	454.0	pg/ml	10.1021/np970277l
Mus musculus	Mus musculus	Activity	560.0	pg/ml	10.1021/np970277l
Mus musculus	Mus musculus	Activity	nan	None	10.1021/np970277l
Mus musculus	Neutral alpha-glucosidase C	IC50	460000.0	nM	10.1021/jm00048a006
Oryctolagus cuniculus	Glycogen debranching enzyme	IC50	2100.0	nM	10.1016/j.bmc.2008.06.026
Rattus norvegicus	Acidic alpha-glucosidase	IC50	820000.0	nM	10.1016/j.bmc.2008.06.026
Rattus norvegicus	Acidic alpha-glucosidase	IC50	820000.0	nM	10.1021/jm00048a006
Rattus norvegicus	Acidic alpha-glucosidase	IC50	nan	nM	10.1021/jm00048a006
Rattus norvegicus	Beta-galactosidase	IC50	15000.0	nM	10.1021/jm00048a006
Rattus norvegicus	Beta-galactosidase	IC50	nan	nM	10.1021/jm00048a006
Rattus norvegicus	Lactase-glycosylceramidase	Inhibition	50.0	%	10.1016/j.bmc.2011.04.011
Rattus norvegicus	Pancreas	Activity	nan	None	10.1021/np970277l
Rattus norvegicus	Sucrase-isomaltase	IC50	34000.0	nM	10.1016/j.bmc.2011.04.011
Rattus norvegicus	Sucrase-isomaltase	IC50	37000.0	nM	10.1016/j.bmc.2011.04.011
Rattus norvegicus	Sucrase-isomaltase	IC50	46000.0	nM	10.1021/np960646y
Rattus norvegicus	Sucrase-isomaltase	IC50	90000.0	nM	10.1016/j.bmc.2008.06.026
Rattus norvegicus	Sucrase-isomaltase	IC50	460000.0	nM	10.1016/j.bmc.2008.06.026
Rattus norvegicus	Trehalase	IC50	nan	nM	10.1021/jm00048a006
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	Inhibition	16.22	%	10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	-0.02	%	10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	10.95	%	10.21203/rs.3.rs-23951/v1
None	Unchecked	IC50	15000.0	nM	10.1021/np960646y
None	Unchecked	IC50	38000.0	nM	10.1021/np960646y
None	Unchecked	IC50	56000.0	nM	10.1021/np960646y
None	Unchecked	IC50	113000.0	nM	10.1016/j.bmc.2011.04.011
None	Unchecked	IC50	200000.0	nM	10.1016/j.bmc.2008.06.026
None	Unchecked	IC50	320000.0	nM	10.1016/j.bmc.2011.04.011
None	Unchecked	IC50	320000.0	nM	10.1021/np960646y
None	Unchecked	IC50	840000.0	nM	10.1021/jm00048a006
None	Unchecked	IC50	1000000.0	nM	10.1021/ml200050s
None	Unchecked	Inhibition	50.0	%	10.1016/j.bmc.2011.04.011
None	Unchecked	Inhibition	50.0	%	10.1021/np960646y