Name: 6',7'-Epoxybergamottin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214313049
Cas No:206978-14-5
常用名:6',7'-Epoxybergamottin
IUPAC:4-{[(2E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-en-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one
IUPAC:4-{[(2E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-en-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one
InChI key:OOKSPQLCQUBEKU-MDWZMJQESA-N

分子式:C21H22O5
分子量:354.402
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C\C(CCC1OC1(C)C)=C/COc1c2ccoc2cc2oc(=O)ccc12
SMILES:C\C(CCC1OC1(C)C)=C/COc1c2ccoc2cc2oc(=O)ccc12

6'7'-Epoxybergamottin is a furanocoumarin found in grapefruit. It is a potent inhibitor of the cytochrome P450 (CYP) isoform CYP3A4 with an IC50 value of 0.30 ppm in a cell-free assay, 0.33 μM in HL7 human liver cells, and 0.22 μM in S9 human intestine cells. It has been studied in the context of drug interactions with grapefruit constituents. It is found in grapefruit juice at concentrations of 0.1-7.4 μM and inhibits the transport of talinolol , a permeability glycoprotein (P-gp/ABCB1) transporter substrate, across Caco-2 cell monolayers (IC50 = 0.7 μM). 6'7'-Epoxybergamottin also has insecticidal properties with a concentration of 5 μg/cm2 leading to 100% mortality of adult olive fruit flies.

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