TREMULACIN

Structure

2D structure of TREMULACIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 442544

Names and identifiers

Name

TREMULACIN

IUPAC name

(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-(2-(((1-hydroxy-6-oxocyclohex-2-ene-1-carbonyl)oxy)methyl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl benzoate

SMILES

C1CC(=O)C(C=C1)(C(=O)OCC2=CC=CC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)C4=CC=CC=C4)O

General information

Molecular formula

C27H28O11

Molecular weight

528.51 g/mol

Monoisotopic mass

528.1632 Da

Classification

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

Plants with the compound

Plant Plant part Amount Reference
Populus tremula L. bark -
Jossang, A., Jossang, P., Bodo, B. (1994). Cinnamrutinoses a and b, glycosides of Populus tremula. Phytochemistry, 35(2), 547-549 doi:10.1016/s0031-9422(00)94801-5
Populus tremula L. leaf -
Meier, B., Lehmann, D., Sticher, O., Bettschart, A. (1986). Hplc-screening of naturally occurring salicylates. Planta Med, 52(5), 424-425 doi:10.1055/s-2007-969228