Bergapten

Bergapten
Clinical data


Routes of administration	Oral
ATC code	D05BA03 (WHO)
Identifiers
IUPAC name 4-methoxy-7H-furo[3,2-g]chromen-7-one
CAS Number	484-20-8^Y
PubChem CID	2355
ChemSpider	2265^Y
UNII	4FVK84C92X
KEGG	D07521^Y
ChEBI	CHEBI:18293^N
ChEMBL	CHEMBL24171^Y
ECHA InfoCard	100.006.913
Chemical and physical data
Formula	C₁₂H₈O₄
Molar mass	216.19 g/mol
3D model (Jmol)	Interactive image
SMILES O=C\1Oc3c(/C=C/1)c(OC)c2ccoc2c3
InChI InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3^Y Key:BGEBZHIAGXMEMV-UHFFFAOYSA-N^Y
^NY (what is this?)

Bergapten (5-methoxypsoralen) is a psoralen (also known as furocoumarins) found in bergamot essential oil, in other citrus essential oils, and in grapefruit juice. It is the chemical in bergamot oil that causes phototoxicity. Bergapten-free bergamot essential oil or synthetics are now used in perfumery.

A known use of bergapten is in the synthesis of Fraxinol.