ChemSpider 2D Image | 5,7-Dihydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-8-(3-methyl-2-buten-1-yl)-4H-chromen-4-one | C25H26O5

5,7-Dihydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-8-(3-methyl-2-buten-1-yl)-4H-chromen-4-one

  • Molecular FormulaC25H26O5
  • Average mass406.471 Da
  • Monoisotopic mass406.178009 Da
  • ChemSpider ID22370359

More details:

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

4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-8-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
5,7-Dihydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-8-(3-methyl-2-buten-1-yl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
5,7-Dihydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-8-(3-methyl-2-buten-1-yl)-4H-chromen-4-one [ACD/IUPAC Name]
5,7-Dihydroxy-3-[4-hydroxy-3-(3-méthyl-2-butén-1-yl)phényl]-8-(3-méthyl-2-butén-1-yl)-4H-chromén-4-one [French] [ACD/IUPAC Name]
162616-70-8 [RN]
3',8-Di-(dimethylallyl)-genistein
5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)chromen-4-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL461061/
isolupalbigenin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 621.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 212.3±25.0 °C
Index of Refraction: 1.634
Molar Refractivity: 116.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.14
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 5638.69
ACD/KOC (pH 5.5): 16377.04
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 593.09
ACD/KOC (pH 7.4): 1722.58
Polar Surface Area: 87 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 326.1±3.0 cm3

Click to predict properties on the Chemicalize site


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