ChemSpider 2D Image | flavaspidic acid AB | C22H26O8

flavaspidic acid AB

  • Molecular FormulaC22H26O8
  • Average mass418.437 Da
  • Monoisotopic mass418.162781 Da
  • ChemSpider ID22370402

More details:

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

2,5-Cyclohexadien-1-one, 2-acetyl-3,5-dihydroxy-4,4-dimethyl-6-[[2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]- [ACD/Index Name]
2-Acetyl-6-(3-butyryl-2,4,6-trihydroxy-5-methylbenzyl)-3,5-dihydroxy-4,4-dimethyl-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
2-Acetyl-6-(3-butyryl-2,4,6-trihydroxy-5-methylbenzyl)-3,5-dihydroxy-4,4-dimethyl-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
2-Acétyl-6-(3-butyryl-2,4,6-trihydroxy-5-méthylbenzyl)-3,5-dihydroxy-4,4-diméthyl-2,5-cyclohexadién-1-one [French] [ACD/IUPAC Name]
3761-64-6 [RN]
flavaspidic acid AB

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

91GX3RYD91 [DBID]
UNII:91GX3RYD91 [DBID]
UNII-91GX3RYD91 [DBID]
  • Miscellaneous

    • Chemical Class:

      A polyphenol that is a phloroglucinol derivative isolated from the rhizomes of <ital>Dryopteris crassirhizoma</ital> and has been shown to exhibit radical scavenging and antibacterial activity. ChEBI CHEBI:65897
      A polyphenol that is a phloroglucinol derivative isolated from the rhizomes of Dryopteris crassirhizoma and has been shown to exhibit radical scavenging and antibacterial activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65897, CHEBI:65897

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

Density: 1.4±0.1 g/cm3
Boiling Point: 663.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 368.8±28.0 °C
Index of Refraction: 1.638
Molar Refractivity: 107.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 11.43
ACD/KOC (pH 5.5): 81.13
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 69.0±3.0 dyne/cm
Molar Volume: 299.6±3.0 cm3

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