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Rottlerin c30h28o8 structure

Subject: Others
Info
  • Published: January 6, 2022
  • Updated: November 18, 2022
  • Language: English
  • Downloads: 24
Table of Contents
  1. Experimental Melting Point:
  2. Experimental Solubility:
  3. Bio Activity:

Contents

  • Bio Activity:
Molecular Formula C 30 H 28 O 8
Average mass 516. 539 Da
Density 1. 4±0. 1 g/cm 3
Boiling Point 800. 4±65. 0 °C at 760 mmHg
Flash Point 266. 0±27. 8 °C
Molar Refractivity 143. 4±0. 3 cm 3
Polarizability 56. 8±0. 5 10 -24 cm 3
Surface Tension 67. 4±3. 0 dyne/cm
Molar Volume 378. 8±3. 0 cm 3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties

    • Experimental Melting Point:

      200 °CIndofine[027309]
      212 °CJean-Claude Bradley Open Melting Point Dataset25595
      200 °CIndofine[027309],[027309]

    • Experimental Solubility:

      Soluble to 2 mM in ethanol and to 100 mM in DMSOTocris Bioscience1610
      Soluble to 2 mM in ethanol with gentle warming and to 100 mM in DMSOTocris Bioscience1610
      Soluble to 2 mM in ethanol with gentle warming and to 20 mM in DMSOTocris Bioscience1610
  • Miscellaneous

    • Bio Activity:

      EnzymesTocris Bioscience1610
      KinasesTocris Bioscience1610
      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 Bioscience1610
      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 Bioscience1610
      Protein Kinase CTocris Bioscience1610
      Reported PKC? inhibitorTocris Bioscience1610

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

Density: 1. 4±0. 1 g/cm 3
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 cm 3
#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 Å 2
Polarizability: 56. 8±0. 5 10 -24 cm 3
Surface Tension: 67. 4±3. 0 dyne/cm
Molar Volume: 378. 8±3. 0 cm 3

Click to predict properties on the Chemicalize site

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