(R)-amygdalin
AlkaPlorer ID: AK003506
Synonym: '', '(R)-Amygdalin', 'D(-)-Mandelonitrile-.beta.-D-gentiobioside', '(-)-D-mandelonitrile beta-D-gentiobioside', 'Mandelonitrile-.beta.-gentiobioside', 'D-amygdalin', 'Benzeneacetonitrile, .alpha.-(6-O-.beta.-D-glucopyranosyl-.beta.-D-glucopyranosyl)oxy-, (R)-', 'D-mandelonitrile-beta-D-glucosido-6-beta-D-glucoside', '(R)-Laenitrile', 'Mandelonitrile ?-gentiobioside', 'AMYGDALIN', 'Benzeneacetonitrile, .alpha.-((6-O-.beta.-D-glucopyranosyl-.beta.-D-glucopyranosyl)oxy)-, (R)-', 'D-(-)-mandelonitrile-beta-D-gentiobioside', '(R)-Amygdaloside', '(R)-amygdalin', 'Amygdaloside', 'D-Amygdalin', 'Amygdalin'
IUPAC Name: 2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile
Structure
SMILES: N#CC(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=CC=C1
InChI: InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10?,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1
InChIKey: XUCIJNAGGSZNQT-SWRVSKMJSA-N
Source
Properties Information
Molecule Weight: 457.4320000000001
TPSA？: 202.32
MolLogP？: -3.108019999999997
Number of H-Donors: 7
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Monoamine oxidase A | Activity | nan | None | 10.1021/jm800656v |
| Homo sapiens | Monoamine oxidase B | Activity | nan | None | 10.1021/jm800656v |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |