ChemSpider 2D Image | Phellamurin | C26H30O11

Phellamurin

  • Molecular FormulaC26H30O11
  • Average mass518.510 Da
  • Monoisotopic mass518.178833 Da
  • ChemSpider ID168247
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(2R,3R)-3,5-Dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-3,4-dihydro-2H-chromen-7-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2R,3R)-3,5-Dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-3,4-dihydro-2H-chromen-7-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-2,3-dihydro-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-, (2R,3R)- [ACD/Index Name]
4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-2,3-dihydro-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-, (2R-trans)-
52589-11-4 [RN]
Phellamurin [Wiki]
β-D-Glucopyranoside de (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphényl)-8-(3-méthyl-2-butén-1-yl)-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-3,4-dihydro-2H-chromen-7-yl β-D-glucopyranoside
(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chroman-4-one
(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C09808 [DBID]
ZINC04098359 [DBID]
  • Miscellaneous
    • Chemical Class:

      A member of the class of dihydroflavonols that is (+)-dihydrokaempferol substituted by a prenyl group at position 8 and a <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl group at position 7 vi a a glycosidic linkage. Isolated from <ital>Phellodendron amurense</ital> and <ital>Commiphora africana</ital>, it exhibits inhibition of intestinal P-glycoprotein. ChEBI CHEBI:8048

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 861.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.2±3.0 kJ/mol
Flash Point: 290.7±27.8 °C
Index of Refraction: 1.672
Molar Refractivity: 129.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.82
ACD/KOC (pH 5.5): 136.74
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 2.51
ACD/KOC (pH 7.4): 50.21
Polar Surface Area: 186 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 78.3±3.0 dyne/cm
Molar Volume: 344.7±3.0 cm3

Click to predict properties on the Chemicalize site





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