Record Information
Version1.0
Creation date2018-04-10 10:06:35 UTC
Update date2018-04-16 14:22:18 UTC
FoodComEx IDPC001056
FoodDB RecordFDB002543
Chemical Information
NameBergaptol
DescriptionPresent in grapefruit and various citrus spp.
CAS Number486-60-2
Structure
Thumb
Synonyms
SynonymSource
4-Hydroxy-7H-furo[3,2-g][1]benzopyran-7-one, 9CIdb_source
4-hydroxy-7H-furo[3,2-g]chromen-7-onebiospider
4-Hydroxypsoralendb_source
5-Hydroxyfuranocoumarinbiospider
5-Hydroxypsoralenbiospider
7H-Furo(3,2-g)(1)benzopyran-7-one, 4-hydroxy- (8CI)(9CI)biospider
7H-Furo[3,2-g][1]benzopyran-7-one, 4-hydroxy-biospider
PSORALIN, 5-HYDROXY-biospider
Chemical FormulaC11H6O4
IUPAC name4-hydroxy-7H-furo[3,2-g]chromen-7-one
InChI IdentifierInChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H
InChI KeyInChIKey=GIJHDGJRTUSBJR-UHFFFAOYSA-N
Isomeric SMILESOC1=C2C=COC2=CC2=C1C=CC(=O)O2
Average Molecular Weight202
Monoisotopic Molecular Weight202
Chemical Taxonomy
ClassPolyphenols
FamilyFuranocoumarins
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointMp 277-278°DFC
Foods of Origin
Grapefruit
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity Available1 to 2 mg
Delivery Time2 weeks
Storage Formpowder
Storage Conditions-18°C
StabilityNot Available
Purity>98%
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Claudine ManachINRA, Human Nutrition, Research Center Auvergne-Rhône-Alpes - Theix, Clermont-Ferrand, FR, F-63122claudine.manach@inra.fr