KICKXIOSIDE

Structure

2D structure of KICKXIOSIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js.

Names and identifiers

Name

KICKXIOSIDE

IUPAC name

(1aR,2S,5aS,6R,6aS)-5a-hydroxy-1a-methyl-2-(((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-6-yl (6S,E)-6-hydroxy-2,6-dimethylocta-2,7-dienoate

SMILES

C1=CO[C@H](C2[C@@]1([C@@H]([C@H]3[C@]2(C)O3)OC(C(=CCC[C@@](C)(C=C)O)C)=O)O)O[C@@H]4[C@H]([C@@H]([C@H]([C@H](CO)O4)O)O)O

General information

Molecular formula

C25H36O12

Molecular weight

528.55 g/mol

Monoisotopic mass

528.2207 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Kickxia spuria (L.) Dumort. subsp. spuria - -
Nicoletti, M., Serafini, M., Tomassini, L., Bianco, A., Passacantilli, P. (1987). Iridoids in the flora of Italy, part ii-1. kickxioside, a new iridoid glucoside from Kickxia spuria. Planta Med, 53(3), 295-297 doi:10.1055/s-2006-962713
Kickxia spuria (L.) Dumort. subsp. spuria aerial parts -
No reference