Molecular Weight: 338.4
Molecular Formula: C21H22O4
Canonical SMILES: O=C1C=CC2=C(OC/C=C(C)/CC/C=C(C)/C)C3=C(OC=C3)C=C2O1
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+
InChIKey: DBMJZOMNXBSRED-OQLLNIDSSA-N
Purity: ≥98%
Synonyms: 5-Geranoxypsoralen; Bergamottin
DescriptionBergamottin (5-geranoxypsoralen) is a natural furanocoumarin found in the pulp of pomelos and grapefruits. It is also found in the peel and pulp of the bergamot orange, from which it was first isolated and from which its name is derived. It shows antiproliferative activity against HepG2 liver, HL-60 leukemia, and BGC-823 gastric cancer cell lines in a dose-dependent manner and induces cell death of CHO cells following near ultraviolet irradiation. Bergamottin inhibits the cytochrome P450 isoform 3A4 with Ki of 7.7 μM and is a mixed inhibitor of simvastatin drug metabolism with Ki of 174 μM. It also increases glucose consumption in HepG2 cells in a dose-dependent manner.
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