ChemSpider 2D Image | pierreione A | C27H30O8

pierreione A

  • Molecular FormulaC27H30O8
  • Average mass482.522 Da
  • Monoisotopic mass482.194061 Da
  • ChemSpider ID26335055

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1292766-20-1 [RN]
2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 7-[4-[(2R)-2,3-dihydroxy-3-methylbutoxy]-3-methoxyphenyl]-5-methoxy-2,2-dimethyl- [ACD/Index Name]
7-{4-[(2R)-2,3-Dihydroxy-3-methylbutoxy]-3-methoxyphenyl}-5-methoxy-2,2-dimethyl-2H,6H-pyrano[3,2-g]chromen-6-on [German] [ACD/IUPAC Name]
7-{4-[(2R)-2,3-Dihydroxy-3-methylbutoxy]-3-methoxyphenyl}-5-methoxy-2,2-dimethyl-2H,6H-pyrano[3,2-g]chromen-6-one [ACD/IUPAC Name]
7-{4-[(2R)-2,3-Dihydroxy-3-méthylbutoxy]-3-méthoxyphényl}-5-méthoxy-2,2-diméthyl-2H,6H-pyrano[3,2-g]chromén-6-one [French] [ACD/IUPAC Name]
pierreione A
3',5-dimethoxy-4'-(2R,3-dihydroxy-3-methylbutoxyl)-3'',3''-dimethylpyrano-(6,7)-isoflavone
  • Miscellaneous

    • Chemical Class:

      A methoxyisoflavone that is isoflavone substituted by methoxy groups at positions 5 and 3', a 2R,3-dihydroxy-3-methylbutoxyl group at position 4' and a dimeth; ylpyran ring fused across positions 6 a nd 7. Isolated from Antheroporum pierrei, it exhibits antineoplastic activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68047
      A methoxyisoflavone that is isoflavone substituted by methoxy groups at positions 5 and 3', a 2R,3-dihydroxy-3-methylbutoxyl group at position 4' and a dimethylpyran ring fused across positions 6 and 7. Isolated from Antheroporum pierrei, it exhibits antineoplastic activity. ChEBI CHEBI:68047
      A methoxyisoflavone that is isoflavone substituted by methoxy groups at positions 5 and 3<apostrophe/>, a 2<stereo>R</stereo>,3-dihydroxy-3-methylbutoxyl group at position 4<apostrophe/> and a dimeth ylpyran ring fused across positions 6 and 7. Isolated from <ital>Antheroporum pierrei</ital>, it exhibits antineoplastic activity. ChEBI CHEBI:68047

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

Density: 1.3±0.1 g/cm3
Boiling Point: 685.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 229.1±25.0 °C
Index of Refraction: 1.587
Molar Refractivity: 128.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 869.51
ACD/KOC (pH 5.5): 4421.13
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 869.51
ACD/KOC (pH 7.4): 4421.13
Polar Surface Area: 104 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 382.3±3.0 cm3

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