ChemSpider 2D Image | CASSIARIN A | C13H11NO2


  • Molecular FormulaC13H11NO2
  • Average mass213.232 Da
  • Monoisotopic mass213.078979 Da
  • ChemSpider ID24648545

More details:

Featured data source

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2,5-Dimethylpyrano[2,3,4-ij]isochinolin-8-ol [German] [ACD/IUPAC Name]
2,5-Diméthylpyrano[2,3,4-ij]isoquinoléin-8-ol [French] [ACD/IUPAC Name]
2,5-Dimethylpyrano[2,3,4-ij]isoquinolin-8-ol [ACD/IUPAC Name]
Pyrano[2,3,4-ij]isoquinolin-8-ol, 2,5-dimethyl- [ACD/Index Name]
  • Miscellaneous
    • Chemical Class:

      An isoquinoline alkaloid that is pyrano[2,3,4-<ital></ital>ij]isoquinoline substituted by a hydroxy group at position 8 and methyl groups at positions 2 and 5. It is isolated from the leaves of <ital> Cassia siamea</ital> and exhibits antiplasmodial activity against <ital>Plasmodium falciparum</ital>. ChEBI CHEBI:65596

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 418.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 207.1±28.7 °C
Index of Refraction: 1.692
Molar Refractivity: 62.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 46.14
ACD/KOC (pH 5.5): 492.11
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 60.99
ACD/KOC (pH 7.4): 650.58
Polar Surface Area: 42 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 162.9±3.0 cm3

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