PHYTOLACCANIN
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 6440483
Name
PHYTOLACCANIN
IUPAC name
(S)-4-((E)-2-((S)-2-carboxy-6-hydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)indolin-1-yl)vinyl)-2,3-dihydropyridine-2,6-dicarboxylic acid hydrochloride
SMILES
C1[C@H](N=C(C=C1/C=C/N2[C@@H](CC3=CC(=C(C=C32)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)O)C(=O)O)C(=O)O.Cl
Molecular formula
C24H27ClN2O13
Molecular weight
586.93 g/mol
Monoisotopic mass
586.1202 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Phytolacca americana L. | - | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|