CAROTATOXIN

Structure

2D structure of CAROTATOXIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5281150

Names and identifiers

Name

CAROTATOXIN

Also reported as

FALCARINDIOL; FALCARINOLONE

IUPAC name

(Z)-heptadeca-1,9-dien-4,6-diyn-3-one

SMILES

CCCCCCC/C=C\CC#CC#CC(=O)C=C

General information

Molecular formula

C17H22O

Molecular weight

242.36 g/mol

Monoisotopic mass

242.1671 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Aegopodium podagraria L. aerial parts -
Kemp, M.S. (1978). Falcardindiol: an antifungal polyacetylene from Aegopodium podagraria. Phytochemistry, 17, 1002 doi:10.1016/s0031-9422(00)88669-0
Aegopodium podagraria L. root -
Karl, E.S., Gerhard, W. (1977). Polyacetylene compounds from Aegopodium podagraria. Arch Pharm(Weinheim), 310, 285 doi:10.1002/ardp.19773100403
Daucus carota L. root 88 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.