(2R,7S,9R,13R)-13-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]tridecane-1,2,7,9,13-pentol
AlkaPlorer ID: AK150262
Synonym: None
IUPAC Name: (13R)-13-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]tridecane-1,2,7,9,13-pentol
Structure
SMILES: OCC(O)CCCCC(O)CC(O)CCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C18H37NO8/c20-9-13(24)5-2-1-4-11(22)8-12(23)6-3-7-15(25)16-18(27)17(26)14(10-21)19-16/h11-27H,1-10H2/t11?,12?,13?,14-,15-,16-,17-,18-/m1/s1
InChIKey: ABLRAGJKLQYRRX-LXHJOMHSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Scilla peruviana | Scilla | Hyacinthaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 395.49300000000005
TPSA？: 173.86999999999998
MolLogP？: -2.402399999999995
Number of H-Donors: 9
Number of H-Acceptors: 9
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/np0499721 |
| Bos taurus | Beta-galactosidase | IC50 | 90.0 | nM | 10.1021/np0499721 |
| Coffea arabica | Alpha-galactosidase | Inhibition | 50.0 | % | 10.1021/np0499721 |
| Homo sapiens | Beta-glucocerebrosidase | IC50 | 970000.0 | nM | 10.1021/np0499721 |
| Rattus norvegicus | Acidic alpha-glucosidase | IC50 | 740000.0 | nM | 10.1021/np0499721 |
| Rattus norvegicus | Beta-mannosidase | IC50 | 9300.0 | nM | 10.1021/np0499721 |
| None | Unchecked | IC50 | 80.0 | nM | 10.1021/np0499721 |
| None | Unchecked | IC50 | 6600.0 | nM | 10.1021/np0499721 |
| None | Unchecked | IC50 | 220000.0 | nM | 10.1021/np0499721 |
| None | Unchecked | IC50 | 265000.0 | nM | 10.1021/np0499721 |
| None | Unchecked | Inhibition | 50.0 | % | 10.1021/np0499721 |