ChemSpider 2D Image | O-methylandrocymbine | C22H27NO5

O-methylandrocymbine

  • Molecular FormulaC22H27NO5
  • Average mass385.453 Da
  • Monoisotopic mass385.188934 Da
  • ChemSpider ID28527801

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,10S)-3,4,5,14-Tetramethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-on [German] [ACD/IUPAC Name]
(1R,10S)-3,4,5,14-Tetramethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one [ACD/IUPAC Name]
(1R,10S)-3,4,5,14-Tétraméthoxy-18-méthyl-18-azatétracyclo[8.5.3.01,11.02,7]octadéca-2,4,6,11,14-pentaén-13-one [French] [ACD/IUPAC Name]
5,11b-(Iminoethano)-11bH-dibenzo[a,c]cyclohepten-3(5H)-one, 6,7-dihydro-2,9,10,11-tetramethoxy-14-methyl-, (5S,11bR)- [ACD/Index Name]
O-methylandrocymbine
  • Miscellaneous

    • Compound Source:

      colchicine biosynthesis PlantCyc CPD-9788
      Linum usitatissimum PlantCyc CPD-9788

    • Bio Activity:

      O-methylandrocymbine + oxygen -> N-formyldemecolcine + H2O PlantCyc CPD-9788
      S-adenosyl-L-methionine + (S)-isoandrocymbine -> O-methylandrocymbine + S-adenosyl-L-homocysteine + H+ PlantCyc CPD-9788

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 571.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.3±30.1 °C
Index of Refraction: 1.596
Molar Refractivity: 105.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 1.69
ACD/KOC (pH 5.5): 21.37
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 28.32
ACD/KOC (pH 7.4): 357.23
Polar Surface Area: 57 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 308.5±5.0 cm3

Click to predict properties on the Chemicalize site


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