validamine
AlkaPlorer ID: AK014673
Synonym: 'Validamine'
IUPAC Name: (1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol
Structure
SMILES: N[C@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C7H15NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h3-7,9-12H,1-2,8H2/t3-,4+,5-,6+,7+/m1/s1
InChIKey: GSQYAWMREAXBHF-UOYQFSTFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces hygroscopicus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 177.20000000000002
TPSA？: 106.94
MolLogP？: -2.5914
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 | Beta-galactosidase | IC50 | 1000000.0 | nM | 10.1016/j.bmcl.2004.07.091 |
| Homo sapiens | Beta-glucosidase cytosolic | IC50 | 130000000000.0 | nM | 10.1016/j.bmcl.2004.07.091 |
| Homo sapiens | Maltase-glucoamylase | IC50 | 110000.0 | nM | 10.1021/jm00156a023 |
| Homo sapiens | Sucrase-isomaltase | IC50 | 7500.0 | nM | 10.1021/jm00156a023 |
| None | Unchecked | IC50 | 2800000000.0 | nM | 10.1016/j.bmcl.2004.07.091 |