XANTHOTOXIN

Structure

2D structure of XANTHOTOXIN
2D structure
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3D model

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

Names and identifiers

Name

XANTHOTOXIN

IUPAC name

9-methoxycyclopenta[g]chromen-2(8H)-one

SMILES

C1=CC(=O)OC2=C1C=C3C(=C2OC)CC=C3

General information

Molecular formula

C13H10O3

Molecular weight

214.22 g/mol

Monoisotopic mass

214.0630 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Chenopodium album L. subsp. album - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Daucus carota L. aerial parts 2 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Daucus carota L. root 0 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Heracleum sphondylium L. subsp. sphondylium root -
Jeffery B. Harborne and H. Baxter, eds. 1983. Phytochemical Dictionary. A Handbook of Bioactive Compounds from Plants. Taylor & Frost, London. 791 pp.
Pastinaca sativa L. subsp. sativa leaf 800 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Pastinaca sativa L. subsp. sativa root 26-1000 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Vicia sativa L. aerial parts -
Kovaleva, A.M., Kovalev, V.N. (1987). Coumarins of Vicia sativa. Chem Nat Comp, 22(6), 723 doi:10.1007/bf00598366
Vicia segetalis Thuill. aerial parts -
Kovaleva, A.M., Kovalev, V.N. (1987). Coumarins of Vicia sativa. Chem Nat Comp, 22(6), 723 doi:10.1007/bf00598366