(2R,4R)-4-[(3S,5R,6R,7S,7aR)-6,7-dihydroxy-5-(hydroxymethyl)-hexahydro-1H-pyrrolizin-3-yl]butane-1,2,4-triol
AlkaPlorer ID: AK150266
Synonym: None
IUPAC Name: 4-[(3S,5R,6R,7S,8R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]butane-1,2,4-triol
Structure
SMILES: OCC(O)CC(O)[C@@H]1CC[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)N21
InChI: InChI=1S/C12H23NO6/c14-4-6(16)3-10(17)7-1-2-8-11(18)12(19)9(5-15)13(7)8/h6-12,14-19H,1-5H2/t6?,7-,8+,9+,10?,11-,12+/m0/s1
InChIKey: HFTWYUZUQUCVPO-NTMPOCDESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Scilla peruviana | Scilla | Hyacinthaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 277.317
TPSA？: 124.62
MolLogP？: -2.980099999999998
Number of H-Donors: 6
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Alpha-L-fucosidase 1 | Inhibition | 50.0 | % | 10.1021/np0499721 |
| Bos taurus | Beta-galactosidase | IC50 | 920000.0 | nM | 10.1021/np0499721 |
| Coffea arabica | Alpha-galactosidase | Inhibition | 50.0 | % | 10.1021/np0499721 |
| Homo sapiens | Beta-glucocerebrosidase | Inhibition | 50.0 | % | 10.1021/np0499721 |
| Rattus norvegicus | Acidic alpha-glucosidase | Inhibition | 50.0 | % | 10.1021/np0499721 |
| Rattus norvegicus | Beta-mannosidase | Inhibition | 50.0 | % | 10.1021/np0499721 |
| None | Unchecked | IC50 | 11400.0 | nM | 10.1021/np0499721 |
| None | Unchecked | IC50 | 25400.0 | nM | 10.1021/np0499721 |
| None | Unchecked | IC50 | 390000.0 | nM | 10.1021/np0499721 |
| None | Unchecked | IC50 | 650000.0 | nM | 10.1021/np0499721 |
| None | Unchecked | Inhibition | 50.0 | % | 10.1021/np0499721 |