7-Deoxyhomomannojirimycin

AlkaPlorer ID: AK043934

Synonym: '', 'beta-L-Homofuconojirimycin', '(-)-7-Deoxyhomomannojirimycin', '(+)-alpha-7-Deoxyhomonojirimycin', 'alpha-7-Deoxyhomonojirimycin'

IUPAC Name: (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-methylpiperidine-3,4,5-triol

Structure

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

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InChI: InChI=1S/C7H15NO4/c1-3-5(10)7(12)6(11)4(2-9)8-3/h3-12H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1

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InChIKey: ZEWFPWKROPWRKE-XUUWZHRGSA-N

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Properties Information

Molecule Weight: 177.20000000000002

TPSA: 92.95

MolLogP: -2.578299999999999

Number of H-Donors: 5

Number of H-Acceptors: 5

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bos taurus Alpha-L-fucosidase 1 Inhibition 50.0 % 10.1021/np020296h
Bos taurus Beta-galactosidase IC50 260000.0 nM 10.1021/np020296h
Caldicellulosiruptor saccharolyticus Beta-glucosidase A Inhibition 50.0 % 10.1021/np020296h
Rattus norvegicus Acidic alpha-glucosidase IC50 18000.0 nM 10.1021/np020296h
Rattus norvegicus Acidic alpha-glucosidase IC50 19000.0 nM 10.1021/np020296h
Rattus norvegicus Beta-mannosidase Inhibition 50.0 % 10.1021/np020296h
Saccharomyces cerevisiae S288c Oligo-1,6-glucosidase Inhibition 50.0 % 10.1021/np020296h
None Unchecked IC50 8000.0 nM 10.1021/np020296h
None Unchecked IC50 22130.0 nM 10.1016/j.bmc.2013.07.048
None Unchecked IC50 94000.0 nM 10.1021/np020296h

Metabolism Information