ChemSpider 2D Image | Annulatin | C16H12O8

Annulatin

  • Molecular FormulaC16H12O8
  • Average mass332.262 Da
  • Monoisotopic mass332.053223 Da
  • ChemSpider ID24227213

More details:

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

1486-67-5 [RN]
4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-methoxy-2-(3,4,5-trihydroxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-3-methoxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
5,7-Dihydroxy-3-methoxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one [ACD/IUPAC Name]
5,7-Dihydroxy-3-méthoxy-2-(3,4,5-trihydroxyphényl)-4H-chromén-4-one [French] [ACD/IUPAC Name]
5,7-dihydroxy-3-methoxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
Annulatin [Wiki]
Myricetin 3-Methylether
3-O-methylmyricetin
5,7,3',4',5'-pentahydroxy-3-methoxyflavone
More...
  • Miscellaneous

    • Compound Source:

      Linum usitatissimum PlantCyc CPD-14930
      polymethylated myricetin biosynthesis (tomato) PlantCyc CPD-14930
      Solanum lycopersicum PlantCyc CPD-14930

    • Bio Activity:

      S-adenosyl-L-methionine + 3-O-methylmyricetin -> 3,7-dimethylmyricetin + S-adenosyl-L-homocysteine + H+ PlantCyc CPD-14930
      S-adenosyl-L-methionine + 3-O-methylmyricetin + 3-O-methylmyricetin -> S-adenosyl-L-homocysteine + 3,7-dimethylmyricetin + S-adenosyl-L-homocysteine + H+ + H+ PlantCyc CPD-14930
      S-adenosyl-L-methionine + myricetin -> 3-O-methylmyricetin + S-adenosyl-L-homocysteine PlantCyc CPD-14930

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

Density: 1.8±0.1 g/cm3
Boiling Point: 741.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 280.0±26.4 °C
Index of Refraction: 1.801
Molar Refractivity: 78.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 16.65
ACD/KOC (pH 5.5): 244.85
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.13
Polar Surface Area: 137 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 120.1±5.0 dyne/cm
Molar Volume: 183.8±5.0 cm3

Click to predict properties on the Chemicalize site


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