SAFRANAL

Structure

2D structure of SAFRANAL
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 61041

Names and identifiers

Name

SAFRANAL

IUPAC name

2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde

SMILES

CC1=C(C(CC=C1)(C)C)C=O

General information

Molecular formula

C10H14O

Molecular weight

150.22 g/mol

Monoisotopic mass

150.1045 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Crocus vernus (L.) Hill flower 405000 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Lolium arundinaceum (Schreb.) Darbysh. subsp. arundinaceum leaf -
Tava, A., Berardo, N., Odoardi, M. (1991). Composition of essential oil of tall fescue. Phytochemistry, 30(5), 1455-1458 doi:10.1016/0031-9422(91)84185-u