SOLANINE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 30185
Name
SOLANINE
IUPAC name
(2S,3R,4S,5S,6R)-2-(((2R,3S,4S,5R,6R)-3-hydroxy-2-(hydroxymethyl)-6-(((4S,6aR,6bS,8aS,8bR,9S,9aR,12S,14aS,15aS,15bS)-6a,8a,9,12-tetramethyl-3,4,5,6,6a,6b,7,8,8a,8b,9,9a,10,11,12,13,14a,15,15a,15b-icosahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]indolizin-4-yl)oxy)-5-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
SMILES
C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C
Molecular formula
C45H73NO15
Molecular weight
868.07 g/mol
Monoisotopic mass
867.4980 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Solanum nigrum L. | fruit | 40 ppm |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|