Rottlerin C30H28O8 structure – Flashcards

Flashcard maker : Patrick Turner

Molecular Formula C30H28O8
Average mass 516.539 Da
Density 1.4±0.1 g/cm3
Boiling Point 800.4±65.0 °C at 760 mmHg
Flash Point 266.0±27.8 °C
Molar Refractivity 143.4±0.3 cm3
Polarizability 56.8±0.5 10-24cm3
Surface Tension 67.4±3.0 dyne/cm
Molar Volume 378.8±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      200 °C Indofine
      [027309]
      212 °C Jean-Claude Bradley Open Melting Point Dataset 25595
      200 °C Indofine
      [027309]
      ,
      [027309]
    • Experimental Solubility:

      Soluble to 2 mM in ethanol and to 100 mM in DMSO Tocris Bioscience 1610
      Soluble to 2 mM in ethanol with gentle warming and to 100 mM in DMSO Tocris Bioscience 1610
      Soluble to 2 mM in ethanol with gentle warming and to 20 mM in DMSO Tocris Bioscience 1610
  • Miscellaneous
    • Bio Activity:

      Enzymes Tocris Bioscience 1610
      Kinases Tocris Bioscience 1610
      Originally reported to inhibit PKC isoforms. Also reported to inhibit CAM kinase III. However, recently shown to inhibit a wide range of protein kinases, and most potently to inhibit PRAK and MAPKAP-K
      2 (IC50 values are 1.9 and 5 ?M respectively). Also shown to act as a direct mitochondrial uncoupler. Thought to stimulate autophagy by targeting upstream mTORC1 control pathways. Tocris Bioscience 1610
      Originally reported to inhibit PKC isoforms. Also reported to inhibit CAM kinase III. However, recently shown to inhibit a wide range of protein kinases, and most potently to inhibit PRAK and MAPKAP-K2 (IC50 values are 1.9 and 5 ?M respectively). Also shown to act as a direct mitochondrial uncoupler. Thought to stimulate autophagy by targeting upstream mTORC1 control pathways. Tocris Bioscience 1610
      Protein Kinase C Tocris Bioscience 1610
      Reported PKC? inhibitor Tocris Bioscience 1610

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

Density: 1.4±0.1 g/cm3
Boiling Point: 800.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.4±3.0 kJ/mol
Flash Point: 266.0±27.8 °C
Index of Refraction: 1.682
Molar Refractivity: 143.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 8.66
ACD/LogD (pH 5.5): 6.79
ACD/BCF (pH 5.5): 83308.73
ACD/KOC (pH 5.5): 113419.69
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 9376.03
ACD/KOC (pH 7.4): 12764.89
Polar Surface Area: 145 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 67.4±3.0 dyne/cm
Molar Volume: 378.8±3.0 cm3

Click to predict properties on the Chemicalize site

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