(1S,2R,3R,5S,7aR)-5-[(1S,3S)-1,3-dihydroxybutyl]-3-(hydroxymethyl)-hexahydro-1H-pyrrolizine-1,2-diol
AlkaPlorer ID: AK114099
Synonym: None
IUPAC Name: (1S,2R,3R,5S,8R)-5-(1,3-dihydroxybutyl)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
Structure
SMILES: CC(O)CC(O)[C@@H]1CC[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)N21
InChI: InChI=1S/C12H23NO5/c1-6(15)4-10(16)7-2-3-8-11(17)12(18)9(5-14)13(7)8/h6-12,14-18H,2-5H2,1H3/t6?,7-,8+,9+,10?,11-,12+/m0/s1
InChIKey: BWAQHMTWORTVIR-NTMPOCDESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Scilla peruviana | Scilla | Hyacinthaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 261.318
TPSA？: 104.39
MolLogP？: -1.952499999999999
Number of H-Donors: 5
Number of H-Acceptors: 6
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 | 830000.0 | 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 | IC50 | 350000.0 | nM | 10.1021/np0499721 |
| Rattus norvegicus | Beta-mannosidase | Inhibition | 50.0 | % | 10.1021/np0499721 |
| None | Unchecked | IC50 | 3600.0 | nM | 10.1021/np0499721 |
| None | Unchecked | IC50 | 5100.0 | nM | 10.1021/np0499721 |
| None | Unchecked | IC50 | 9500.0 | nM | 10.1021/np0499721 |
| None | Unchecked | IC50 | 180000.0 | nM | 10.1021/np0499721 |
| None | Unchecked | IC50 | 300000.0 | nM | 10.1021/np0499721 |
| None | Unchecked | IC50 | 680000.0 | nM | 10.1021/np0499721 |
| None | Unchecked | Inhibition | 50.0 | % | 10.1021/np0499721 |