APLOTAXENE

Structure

2D structure of APLOTAXENE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5352710

Names and identifiers

Name

APLOTAXENE

IUPAC name

(8Z,11Z,14Z)-heptadeca-1,8,11,14-tetraene

SMILES

CC/C=C\C/C=C\C/C=C\CCCCCC=C

General information

Molecular formula

C17H28

Molecular weight

232.41 g/mol

Monoisotopic mass

232.2191 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Arctium lappa L. - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Arctium lappa L. root -
Jim Duke's personal files.
Cirsium arvense (L.) Scop. root -
Binder, R.G., Benson, M., Haddon, W.F., French, R.C. (1992). Aplotaxene derivatives from Cirsium arvense. Phytochemistry, 31(3), 1033-1034 doi:10.1016/0031-9422(92)80065-m
Cirsium arvense (L.) Scop. root, essential oil -
Binder, R.G., French, R.C. (1994). Volatile components of canada thistle. J Agr Food Chem, 42(12), 2942-2945 doi:10.1021/jf00048a056