| Stereochemistry | ACHIRAL |
| Molecular Formula | C12H8O4 |
| Molecular Weight | 216.1895 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC2=C(C=CO2)C3=C1C=CC(=O)O3
InChI
InChIKey=AJSPSRWWZBBIOR-UHFFFAOYSA-N
InChI=1S/C12H8O4/c1-14-9-6-10-8(4-5-15-10)12-7(9)2-3-11(13)16-12/h2-6H,1H3
Isobergapten is a furanocoumarin found in Heracleum maximum and grapefruit and can block the liver enzyme cytochrome P450, having interactions with some medications. Isobergapten is the principal constituents responsible for the antimycobacterial activity of the roots of Heracleum maximum.
Originator
Approval Year
PubMed
Patents
Sample Use Guides
MIC andIC50 values were determined against Mycobacterium tuberculosis H37Ra using the MRA. Stock solutions(800 μg/mL) in sterile 4% DMSO in MGIT growth medium and used immediately. Serial two fold dilutions of test compound (Isobergapten) solutions (100 μL) were performed in 96-well microtitre assay plates with MGIT growth medium(100 μL) to give a series of 12 concentrations (400–0.20 μg/mL) in triplicate
SUBSTANCE RECORD
