Details
| 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
| Molecular Formula | C12H8O4 |
| Molecular Weight | 216.1895 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
DescriptionCurator's Comment: The description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/6183897 | https://www.ncbi.nlm.nih.gov/pubmed/28556437 | https://www.ncbi.nlm.nih.gov/pubmed/6617185 | https://www.ncbi.nlm.nih.gov/pubmed/23649674
Curator's Comment: The description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/6183897 | https://www.ncbi.nlm.nih.gov/pubmed/28556437 | https://www.ncbi.nlm.nih.gov/pubmed/6617185 | https://www.ncbi.nlm.nih.gov/pubmed/23649674
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
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 Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 19:55:58 GMT 2025
by
admin
on
Mon Mar 31 19:55:58 GMT 2025
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| Record UNII |
27X3V737WH
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| Record Status |
Validated (UNII)
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DTXSID8075415
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