GRASSHOPPER KETONE

Structure

2D structure of GRASSHOPPER KETONE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 13922639

Names and identifiers

Name

GRASSHOPPER KETONE

IUPAC name

4-((2R,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)but-3-en-2-one

SMILES

CC(=O)C=C=C1[C@](C[C@H](CC1(C)C)O)(C)O

General information

Molecular formula

C13H20O3

Molecular weight

224.30 g/mol

Monoisotopic mass

224.1412 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Erigeron sumatrensis Retz. aerial parts -
Iijima, T., Yaoita, Y., Kikuchi, M. (2003). Constituents of Erigeron annuus, Erigeron philadelphicus and Erigeron sumatrensis. Natural Med, 57(2), 75