Molecule

Valiolamine

AlkaPlorer ID: AK004124

Synonym: None

IUPAC Name: (1S,2S,3R,4S,5S)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol

SMILES: N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O

InChI: InChI=1S/C7H15NO5/c8-3-1-7(13,2-9)6(12)5(11)4(3)10/h3-6,9-13H,1-2,8H2/t3-,4-,5+,6-,7-/m0/s1

InChIKey: VDLOJRUTNRJDJO-ZYNSJIGGSA-N

PubChem CID: 174312

CAS: 83465-22-9

LOTUS: LTS0077118

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NPAtlas: NPA020902

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces hygroscopicus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Molecule Weight: 193.199

TPSA？: 127.17000000000002

MolLogP？: -3.4765

Number of H-Donors: 6

Number of H-Acceptors: 6

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Chlorocebus sabaeus	Vero	CC50	831000.0	nM	10.1021/acs.jmedchem.1c01377
dengue virus type 1	dengue virus type 1	IC50	1000000.0	nM	10.1021/acs.jmedchem.1c01377
Homo sapiens	Beta-glucocerebrosidase	Inhibition	50.0	%	10.1016/j.bmc.2008.06.026
Homo sapiens	Lysosomal alpha-glucosidase	IC50	57000.0	nM	10.1016/j.bmc.2008.06.026
Homo sapiens	Maltase-glucoamylase	IC50	2200.0	nM	10.1021/jm00156a023
Homo sapiens	Sucrase-isomaltase	IC50	49.0	nM	10.1021/jm00156a023
Oryctolagus cuniculus	Glycogen debranching enzyme	IC50	31000.0	nM	10.1016/j.bmc.2008.06.026
Rattus norvegicus	Acidic alpha-glucosidase	IC50	18000.0	nM	10.1016/j.bmc.2008.06.026
Rattus norvegicus	Sucrase-isomaltase	IC50	690.0	nM	10.1016/j.bmc.2008.06.026
Rattus norvegicus	Sucrase-isomaltase	IC50	2100.0	nM	10.1016/j.bmc.2008.06.026
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	1000000.0	nM	10.1021/acs.jmedchem.1c01377
None	Unchecked	IC50	49.0	nM	10.1016/j.bmc.2008.06.026
None	Unchecked	IC50	2200.0	nM	10.1016/j.bmc.2008.06.026
None	Unchecked	IC50	87390.0	nM	10.1021/acs.jmedchem.1c01377
None	Unchecked	IC50	100000.0	nM	10.1021/acs.jmedchem.1c01377
None	Unchecked	Inhibition	50.0	%	10.1016/j.bmc.2008.06.026