ChemSpider 2D Image | Combretol | C20H20O8

Combretol

  • Molecular FormulaC20H20O8
  • Average mass388.368 Da
  • Monoisotopic mass388.115814 Da
  • ChemSpider ID21131195

More details:

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

4H-1-Benzopyran-4-one, 5-hydroxy-3,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
5-Hydroxy-3,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
5-Hydroxy-3,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one [ACD/IUPAC Name]
5-Hydroxy-3,7-diméthoxy-2-(3,4,5-triméthoxyphényl)-4H-chromén-4-one [French] [ACD/IUPAC Name]
Combretol [Wiki]
3,7,3',4',5'-pentamethylmyricetin
5084-19-5 [RN]
5-hydroxy-3,3',4',5',7-pentamethoxyflavone
5-Hydroxy-3',3,4',5',7-pentamethoxyflavone
5-HYDROXY-3'',3,4'',5'',7-PENTAMETHOXYFLAVONE
More...
  • Miscellaneous

    • Chemical Class:

      A pentamethoxyflavone that is myricetin in which the hydroxy groups at positions 3, 7, 3', 4' and 5' have been replaced by methoxy groups. It has been isolated from Combretum quadrangulare. ChEBI CHEBI:70005
      A pentamethoxyflavone that is myricetin in which the hydroxy groups at positions 3, 7, 3', 4' and 5' have been replaced by methoxy groups. It has been isolated from; Combretum quadrangulare. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:70005
      A pentamethoxyflavone that is myricetin in which the hydroxy groups at positions 3, 7, 3<apostrophe/>, 4<apostrophe/> and 5<apostrophe/> have been replaced by methoxy groups. It has been isolated from <ital>Combretum quadrangulare</ital>. ChEBI CHEBI:70005

    • Compound Source:

      Linum usitatissimum PlantCyc CPD-14945
      polymethylated myricetin biosynthesis (tomato) PlantCyc CPD-14945
      Solanum lycopersicum PlantCyc CPD-14945

    • Bio Activity:

      S-adenosyl-L-methionine + 3,7,3',5'-tetramethylmyricetin -> 3,7,3',4',5'-pentamethylmyricetin + S-adenosyl-L-homocysteine + H+ PlantCyc CPD-14945
      S-adenosyl-L-methionine + 3,7,3',5'-tetramethylmyricetin -> S-adenosyl-L-homocysteine + 3,7,3',4',5'-pentamethylmyricetin + S-adenosyl-L-homocysteine + H+ + H+ PlantCyc CPD-14945

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

Density: 1.4±0.1 g/cm3
Boiling Point: 592.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 210.6±23.6 °C
Index of Refraction: 1.608
Molar Refractivity: 98.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 110.35
ACD/KOC (pH 5.5): 949.63
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 6.97
ACD/KOC (pH 7.4): 59.94
Polar Surface Area: 93 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 283.4±5.0 cm3

Click to predict properties on the Chemicalize site


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