None
AlkaPlorer ID: AK323446
Synonym: None
IUPAC Name: (3R,4R,5S,6R)-5-[(2S,3S,4S,5R,6S)-5-[(2S,3S,4R,5R,6S)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
Structure
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@H]2CO)[C@@H](O)[C@H](O)[C@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8-,9+,10-,11-,12+,13-,14+,15-,16+,17-,18+,19-,20-,21+,22-,23?,24-,25-/m0/s1
InChIKey: XUFXOAAUWZOOIT-ZJGALDLUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Harungana madagascariensis | Harungana | Hypericaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 645.6080000000004
TPSA？: 321.17
MolLogP？: -8.564500000000011
Number of H-Donors: 14
Number of H-Acceptors: 19
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Maltase-glucoamylase | IC50 | 15200.0 | nM | 10.1016/j.bmc.2016.06.013 |
| Saccharomyces cerevisiae S288c | Alpha-glucosidase MAL12 | IC50 | 33900.0 | nM | 10.1016/j.bmcl.2016.06.086 |
| Sus scrofa | Pancreatic alpha-amylase | IC50 | 28000.0 | nM | 10.1016/j.bmc.2015.11.008 |
| Sus scrofa | Pancreatic alpha-amylase | Inhibition | nan | % | 10.1016/j.bmc.2015.11.008 |
| None | Unchecked | IC50 | 685.0 | nM | 10.1016/j.bmcl.2015.12.009 |
| None | Unchecked | IC50 | 38250.0 | nM | 10.1039/C5MD00280J |
| None | Unchecked | IC50 | 119700.0 | nM | 10.1021/acs.jnatprod.5b00924 |
| None | Unchecked | IC50 | 720300.0 | nM | 10.1016/j.bmc.2016.02.018 |
| None | Unchecked | IC50 | 840000.0 | nM | 10.1016/j.bmc.2016.02.037 |
| None | Unchecked | IC50 | 860230.0 | nM | 10.1016/j.ejmech.2015.10.017 |
| None | Unchecked | IC50 | 995550.0 | nM | 10.1016/j.bmcl.2016.04.071 |
| None | Unchecked | Inhibition | nan | % | 10.1016/j.bmc.2015.11.008 |