ChemSpider 2D Image | 2-(2,3-Dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one | C19H18O9

2-(2,3-Dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one

  • Molecular FormulaC19H18O9
  • Average mass390.341 Da
  • Monoisotopic mass390.095093 Da
  • ChemSpider ID58830059

More details:

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

2-(2,3-Dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-(2,3-Dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one [ACD/IUPAC Name]
2-(2,3-Dihydroxy-4-méthoxyphényl)-5-hydroxy-3,6,7-triméthoxy-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(2,3-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxy- [ACD/Index Name]
2-(2,3-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one
2'-hydroxy 3,6,7,4'-tetramethylquercetagetin

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

  • Miscellaneous

    • Compound Source:

      Linum usitatissimum PlantCyc CPD-14861
      polymethylated quercetin glucoside biosynthesis II - quercetagetin series (Chrysosplenium) PlantCyc CPD-14861

    • Bio Activity:

      3,6,7,4'-tetramethylquercetagetin + NADPH + NADPH + H+ + oxygen + oxygen + H+ -> 2'-hydroxy 3,6,7,4'-tetramethylquercetagetin + NADP+ + NADP+ + H2O + H2O PlantCyc CPD-14861
      S-adenosyl-L-methionine + 2'-hydroxy 3,6,7,4'-tetramethylquercetagetin -> S-adenosyl-L-homocysteine + 2'-hydroxy 3,6,7,3',4'-pentamethylquercetagetin + S-adenosyl-L-homocysteine + H+ + H+ PlantCyc CPD-14861
      S-adenosyl-L-methionine + 2'-hydroxy 3,6,7,4'-tetramethylquercetagetin -> S-adenosyl-L-homocysteine + 3,6,7,2',4'-pentamethylquercetagetin + S-adenosyl-L-homocysteine + H+ + H+ PlantCyc CPD-14861
      UDP-alpha-D-glucose + 2'-hydroxy 3,6,7,4'-tetramethylquercetagetin + UDP-alpha-D-glucose -> UDP + 2'-hydroxy 3,6,7,4'-tetramethylquercetagetin 3'-O-beta-D-glucoside + UDP + H+ + H+ PlantCyc CPD-14861

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

Density: 1.5±0.1 g/cm3
Boiling Point: 649.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 234.6±25.0 °C
Index of Refraction: 1.663
Molar Refractivity: 94.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 26.94
ACD/KOC (pH 5.5): 344.95
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 1.61
ACD/KOC (pH 7.4): 20.61
Polar Surface Area: 124 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 76.0±5.0 dyne/cm
Molar Volume: 255.4±5.0 cm3

Click to predict properties on the Chemicalize site


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