ChemSpider 2D Image | 5-hydroxy-3-(4-hydroxy-3-methyl-but-2-enyl)-8,8-dimethyl-2-(2,4,5-trihydroxy-phenyl)-8H-pyrano[2,3-f]chromen-4-one | C25H24O8

5-hydroxy-3-(4-hydroxy-3-methyl-but-2-enyl)-8,8-dimethyl-2-(2,4,5-trihydroxy-phenyl)-8H-pyrano[2,3-f]chromen-4-one

  • Molecular FormulaC25H24O8
  • Average mass452.453 Da
  • Monoisotopic mass452.147125 Da
  • ChemSpider ID26391924

  • Double-bond stereo - Double-bond stereo

More details:

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

4H,8H-Benzo[1,2-b:3,4-b']dipyran-4-one, 5-hydroxy-3-[(2Z)-4-hydroxy-3-methyl-2-buten-1-yl]-8,8-dimethyl-2-(2,4,5-trihydroxyphenyl)- [ACD/Index Name]
5-hydroxy-3-(4-hydroxy-3-methyl-but-2-enyl)-8,8-dimethyl-2-(2,4,5-trihydroxy-phenyl)-8H-pyrano[2,3-f]chromen-4-one
5-Hydroxy-3-[(2Z)-4-hydroxy-3-methyl-2-buten-1-yl]-8,8-dimethyl-2-(2,4,5-trihydroxyphenyl)-4H,8H-pyrano[2,3-f]chromen-4-on [German] [ACD/IUPAC Name]
5-Hydroxy-3-[(2Z)-4-hydroxy-3-methyl-2-buten-1-yl]-8,8-dimethyl-2-(2,4,5-trihydroxyphenyl)-4H,8H-pyrano[2,3-f]chromen-4-one [ACD/IUPAC Name]
5-Hydroxy-3-[(2Z)-4-hydroxy-3-méthyl-2-butén-1-yl]-8,8-diméthyl-2-(2,4,5-trihydroxyphényl)-4H,8H-pyrano[2,3-f]chromén-4-one [French] [ACD/IUPAC Name]
5-hydroxy-3-[(2Z)-4-hydroxy-3-methylbut-2-en-1-yl]-8,8-dimethyl-2-(2,4,5-trihydroxyphenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
  • Miscellaneous

    • Chemical Class:

      An extended flavonoid that is flavone substituted by hydroxy groups at positions 5, 2', 4' and 5', a 3-(hydroxymethyl)but-2-en-1-yl group at position 3 and a 6,6-dimethyl-3,6-dihydro-2<element>H</elem ent>-pyran group across positions 7 and 8. It has been isolated from <ital>Artocarpus odoratissimus</ital>. ChEBI CHEBI:70026
      An extended flavonoid that is flavone substituted by hydroxy groups at positions 5, 2', 4' and 5', a 3-(hydroxymethyl)but-2-en-1-yl group at position 3 and a 6,6-dimethyl-3,6-dihydro-2H-pyran group ac ross positions 7 and 8. It has been isolated from Artocarpus odoratissimus. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:70026, CHEBI:70026

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

Density: 1.4±0.1 g/cm3
Boiling Point: 754.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 260.9±26.4 °C
Index of Refraction: 1.671
Molar Refractivity: 119.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 552.13
ACD/KOC (pH 5.5): 3101.11
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 63.27
ACD/KOC (pH 7.4): 355.35
Polar Surface Area: 137 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 65.3±3.0 dyne/cm
Molar Volume: 318.6±3.0 cm3

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