ChemSpider 2D Image | pleosporone | C15H14O6

pleosporone

  • Molecular FormulaC15H14O6
  • Average mass290.268 Da
  • Monoisotopic mass290.079041 Da
  • ChemSpider ID23342341
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1R,2S,3S)-1,2,3,8-Tetrahydroxy-6-methyl-1,2,3,4-tetrahydro-9,10-anthracendion [German] [ACD/IUPAC Name]
(1R,2S,3S)-1,2,3,8-Tetrahydroxy-6-methyl-1,2,3,4-tetrahydro-9,10-anthracenedione [ACD/IUPAC Name]
(1R,2S,3S)-1,2,3,8-Tétrahydroxy-6-méthyl-1,2,3,4-tétrahydro-9,10-anthracènedione [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 1,2,3,4-tetrahydro-1,2,3,8-tetrahydroxy-6-methyl-, (1R,2S,3S)- [ACD/Index Name]
pleosporone
(1R,2S,3S)-1,2,3,8-tetrahydroxy-6-methyl-1,2,3,4,9,10-hexahydroanthracene-9,10-dione
(1R,2S,3S)-1,2,3,8-tetrahydroxy-6-methyl-1,2,3,4-tetrahydroanthracene-9,10-dione
CHEMBL492618
  • Miscellaneous
    • Chemical Class:

      A carbotricyclic compound that is 1,2,3,4-tetrahydroanthracene-9,10-dione substituted by hydroxy groups at positions 1, 2, 3 and 8 and a methyl group at position 6. It is isolated from a pleosporalean ascomycete (MF7028), an endophytic fungus from <ital>Anthyllis vulneraria</ital> and exhibits modest antibacterial activity against a number of bacterial strains. Additionally it exhibits cytotoxicit y against HeLa cells. ChEBI CHEBI:66765
      A carbotricyclic compound that is 1,2,3,4-tetrahydroanthracene-9,10-dione substituted by hydroxy groups at positions 1, 2, 3 and 8 and a methyl group at position 6. It is isolated from a pleosporalean ascomycete (MF7028), an endophytic fungus from Anthyllis vulneraria and exhibits modest antibacterial activity against a number of bacterial strains. Additionally it exhibits cytotoxicit; y against H eLa cells. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66765

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

Density: 1.6±0.1 g/cm3
Boiling Point: 610.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 337.3±28.0 °C
Index of Refraction: 1.719
Molar Refractivity: 70.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.34
ACD/KOC (pH 5.5): 142.58
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 1.34
ACD/KOC (pH 7.4): 25.93
Polar Surface Area: 115 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 93.6±5.0 dyne/cm
Molar Volume: 177.6±5.0 cm3

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