Chemical Property of 3-Isomangostin
Chemical Property:
- Melting Point:155-160oC
- Boiling Point:615.9 °C at 760 mmHg
- PKA:7.04±0.40(Predicted)
- Flash Point:212.3 °C
- PSA:89.13000
- Density:1.257 g/cm3
- LogP:4.97830
- XLogP3:5.7
- Hydrogen Bond Donor Count:2
- Hydrogen Bond Acceptor Count:6
- Rotatable Bond Count:3
- Exact Mass:410.17293854
- Heavy Atom Count:30
- Complexity:683
- Purity/Quality:
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≥98% *data from raw suppliers
3-Isomangostin *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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SDS file from LookChem
Useful:
- Canonical SMILES:CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(CC4)(C)C)O)O)OC)C
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Uses
3-Isomangostin has been discovered as being a new class of MTH1 inhibitor using X-ray crystallography screening, as well as, an inhibitor of amyloidogenesis, which can reduce amyloid fibril formation by human V30M transthyretin variant. It has also been used to prepare novel xanthone derivative to use against cancer.