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Search term: HTDSMOBGCNRBHQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (E)-4,2',4'-trihydroxy-6'-methoxy-3',5'-dimethylchalcone | C18H18O5

(E)-4,2',4'-trihydroxy-6'-methoxy-3',5'-dimethylchalcone

  • Molecular FormulaC18H18O5
  • Average mass314.332 Da
  • Monoisotopic mass314.115417 Da
  • ChemSpider ID26363219

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-(2,4-Dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-(2,4-Dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-(2,4-Dihydroxy-6-méthoxy-3,5-diméthylphényl)-3-(4-hydroxyphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
(E)-4,2',4'-trihydroxy-6'-methoxy-3',5'-dimethylchalcone
2-Propen-1-one, 1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)-, (2E)- [ACD/Index Name]
(2E)-1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

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

  • Miscellaneous

    • Chemical Class:

      A member of the class of chalcones that is <stereo>trans</stereo>-chalcone substituted by hydroxy groups at positions 4, 2' and 4', a methoxy group at position 6' and methyl groups at positions 3' an d 5'. 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:70655
      A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4', a methoxy group at position 6' and methyl groups at positions 3' an; d 5'. Isolated from the buds of Cleistocalyx 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:70655
      A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4', a methoxy group at position 6' and methyl groups at positions 3' and 5'. Isolated fr om the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2. ChEBI CHEBI:70655

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

Density: 1.3±0.1 g/cm3
Boiling Point: 554.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 203.0±23.6 °C
Index of Refraction: 1.659
Molar Refractivity: 89.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 337.15
ACD/KOC (pH 5.5): 2238.40
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 198.14
ACD/KOC (pH 7.4): 1315.50
Polar Surface Area: 87 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 241.7±3.0 cm3

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