ChemSpider 2D Image | BIPINNATONE A | C30H38O5

BIPINNATONE A

  • Molecular FormulaC30H38O5
  • Average mass478.620 Da
  • Monoisotopic mass478.271912 Da
  • ChemSpider ID24720692

  • Double-bond stereo - Double-bond stereo

More details:

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1065546-02-2 [RN]
1-Propanone, 3-[4-hydroxy-3-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]phenyl]-1-(2,4,6-trihydroxyphenyl)- [ACD/Index Name]
3-[4-Hydroxy-3-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]phenyl]-1-(2,4,6-trihydroxyphenyl)-1-propanone
3-{4-Hydroxy-3-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]phenyl}-1-(2,4,6-trihydroxyphenyl)-1-propanon [German] [ACD/IUPAC Name]
3-{4-Hydroxy-3-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]phenyl}-1-(2,4,6-trihydroxyphenyl)-1-propanone [ACD/IUPAC Name]
3-{4-Hydroxy-3-[(2E,6E)-3,7,11-triméthyl-2,6,10-dodécatrién-1-yl]phényl}-1-(2,4,6-trihydroxyphényl)-1-propanone [French] [ACD/IUPAC Name]
BIPINNATONE A
3-{4-hydroxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]phenyl}-1-(2,4,6-trihydroxyphenyl)propan-1-one
  • Miscellaneous

    • Chemical Class:

      A member of the class of dihydrochalones that is dihydrochalcone hydroxylated at C-2', C-4', C-6' and C-4 and substituted by a farnesyl group at C-3. It is isolated from the aerial parts of <ital>Boro nia bipinnata</ital> and exhibits antimalarial activity. ChEBI CHEBI:65498
      A member of the class of dihydrochalones that is dihydrochalcone hydroxylated at C-2', C-4', C-6' and C-4 and substituted by a farnesyl group at C-3. It is isolated from the aerial parts of Boro; nia bipinnata and exhibits antimalarial activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65498
      A member of the class of dihydrochalones that is dihydrochalcone hydroxylated at C-2', C-4', C-6' and C-4 and substituted by a farnesyl group at C-3. It is isolated from the aerial parts of Boronia bi pinnata and exhibits antimalarial activity. ChEBI CHEBI:65498

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

Density: 1.1±0.1 g/cm3
Boiling Point: 671.4±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 373.8±24.9 °C
Index of Refraction: 1.594
Molar Refractivity: 142.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 9.66
ACD/LogD (pH 5.5): 8.81
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1468843.38
ACD/LogD (pH 7.4): 8.30
ACD/BCF (pH 7.4): 885066.13
ACD/KOC (pH 7.4): 443958.81
Polar Surface Area: 98 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 419.5±3.0 cm3

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