CYCLOHEXA-2-5-DIEN-1-ONE,2-4-4-TRIMETHYL-3-(BETA-D-GLUCOPYRANOSYL-OXY-METHYL)

Structure

2D structure of CYCLOHEXA-2-5-DIEN-1-ONE,2-4-4-TRIMETHYL-3-(BETA-D-GLUCOPYRANOSYL-OXY-METHYL)
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 21631028

Names and identifiers

Name

CYCLOHEXA-2-5-DIEN-1-ONE,2-4-4-TRIMETHYL-3-(BETA-D-GLUCOPYRANOSYL-OXY-METHYL)

IUPAC name

2,4,4-trimethyl-3-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)cyclohexa-2,5-dien-1-one

SMILES

C1(C(=C(C(C=C1)(C)C)CO[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)C)=O

General information

Molecular formula

C16H24O7

Molecular weight

328.36 g/mol

Monoisotopic mass

328.1522 Da

Classification

Pathway:
Superclass:
Class:
-
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Eryngium campestre L. root -
Erdelmeier, C.A.J., Sticher, O. (1986). A cyclohexenone and a cyclohexadienone glycoside from Eryngium campestre. Phytochemistry, 25(3), 741-743 doi:10.1016/0031-9422(86)88036-0