5-METHOXY-PSORALEN

Structure

2D structure of 5-METHOXY-PSORALEN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 2355

Names and identifiers

Name

5-METHOXY-PSORALEN

Also reported as

BERGAPTEN

IUPAC name

4-methoxy-7H-furo[3,2-g]chromen-7-one

SMILES

COC1=C2C=CC(=O)OC2=CC3=C1C=CO3

General information

Molecular formula

C12H8O4

Molecular weight

216.19 g/mol

Monoisotopic mass

216.0423 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Daucus carota L. - -
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.
Pastinaca sativa L. subsp. sativa root 3-3800 ppm; 7 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 seed -
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