ChemSpider 2D Image | (2S)-2,7-dihydroxy-5-methoxy-6,8-dimethylflavanone | C18H18O5

(2S)-2,7-dihydroxy-5-methoxy-6,8-dimethylflavanone

  • Molecular FormulaC18H18O5
  • Average mass314.332 Da
  • Monoisotopic mass314.115417 Da
  • ChemSpider ID26362338
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2,7-Dihydroxy-5-methoxy-6,8-dimethyl-2-phenyl-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2S)-2,7-Dihydroxy-5-methoxy-6,8-dimethyl-2-phenyl-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2S)-2,7-Dihydroxy-5-méthoxy-6,8-diméthyl-2-phényl-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
(2S)-2,7-dihydroxy-5-methoxy-6,8-dimethylflavanone
4H-1-Benzopyran-4-one, 2,3-dihydro-2,7-dihydroxy-5-methoxy-6,8-dimethyl-2-phenyl-, (2S)- [ACD/Index Name]
  • Miscellaneous
    • Chemical Class:

      A dihydroxyflavanon that is (2<stereo>S</stereo>)-flavanone substituted by hydroxy groups at positions 2 and 7, a methoxy group at position 5 and methyl groups at positions 6 and 8. Isolated from the buds of <ital>Cleistocalyx operculatus</ital>, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2. ChEBI CHEBI:70654
      A dihydroxyflavanon that is (2S)-flavanone substituted by hydroxy groups at positions 2 and 7, a methoxy group at position 5 and methyl groups at positions 6 and 8. Isolated from the ; buds of Cleisto calyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:70654

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

Density: 1.3±0.1 g/cm3
Boiling Point: 559.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 206.9±23.6 °C
Index of Refraction: 1.625
Molar Refractivity: 84.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 99.84
ACD/KOC (pH 5.5): 938.15
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 77.55
ACD/KOC (pH 7.4): 728.64
Polar Surface Area: 76 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 238.4±3.0 cm3

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