Bergamottin

CAS: 7380-40-7

Ref. TR-B318400

Product Information

• Name: Bergamottin
• Synonyms: 4-[[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy]-7H-Furo[3,2-g][1]benzopyran-7-one, 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(3,7-dimethyl-2,6-octadienyl)oxy]-, (E)- (8CI), 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[[(2E)-3,7-dimethyl-2,6-octadienyl]oxy]- (9CI), Bergamottin (6CI), 4-[[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy]-7H-furo[3,2-g][1]benzopyran-7-one, 5-Geranoxypsoralen, Bergamotine, Bergaptin, 4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one, 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(3,7-dimethyl-2,6-octadienyl)oxy]-, (E)-, 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-, 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[[(2E)-3,7-dimethyl-2,6-octadienyl]oxy]-

Description

Applications Bergamottin (BG), a component of grapefruit juice, is a mechanism-based inactivator of CYP3A4 and contributes, in part, to the grapefruit juice-drug interaction.
References Bailey, D., et al.: Clin. Pharmacol. Ther., 68, 468 (2000), Guo, L., et al.; Drug Metab. Dispos., 28, 766 (2000), Baer, B., et al.: Chem. Res. Toxicol., 20, 954 (2007), Lin, H., et al.: Drug Metab. Dispos., 39, 24 (2011);

• Brand: TRC

Chemical properties

• Molecular weight: 338.40
• Formula: C₂₁H₂₂O₄
• Color/Form: Neat
• InChI: InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
• InChI key: InChIKey=DBMJZOMNXBSRED-OQLLNIDSSA-N
• SMILES: CC(C)=CCC/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12