ChemSpider 2D Image | leachianone A | C26H30O6

leachianone A

  • Molecular FormulaC26H30O6
  • Average mass438.513 Da
  • Monoisotopic mass438.204254 Da
  • ChemSpider ID23332604

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-5,7-Dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-[(2R)-2-isopropenyl-5-methyl-4-hexen-1-yl]-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2S)-5,7-Dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-[(2R)-2-isopropenyl-5-methyl-4-hexen-1-yl]-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2S)-5,7-Dihydroxy-2-(4-hydroxy-2-méthoxyphényl)-8-[(2R)-2-isopropényl-5-méthyl-4-hexén-1-yl]-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-[(2R)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]-, (2S)- [ACD/Index Name]
97938-31-3 [RN]
leachianone A
(2S)?-2,?3-?dihydro-?5,?7-?dihydroxy-?2-?(4-?hydroxy-?2-?methoxyphenyl)?-?8-?[(2R)?-?5-?methyl-?2-?(1-?methylethenyl)?-?4-?hexen-?1-?yl]?-4H-?1-?Benzopyran-?4-?one?
(2S)-5,7,4'-trihydroxy-8-lavandulyl-2'-methoxyflavanone
(2S)-5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-4H-chromen-4-one
(2S)-5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-3,4-dihydro-2H-1-benzopyran-4-one
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  • Miscellaneous

    • Chemical Class:

      A trihydroxyflavanone that is (2<stereo>S</stereo>)-flavanone substituted by a lavandulyl group at position 8, hydroxy groups at positions 5, 7 and 4' and a methoxy group at position 2'. Isolated from the roots of <ital>Sophora flavescens</ital> and <ital>Sophora leachiana</ital>, it exhibits antineoplastic and antimalarial activity. ChEBI CHEBI:66559
      A trihydroxyflavanone that is (2S)-flavanone substituted by a lavandulyl group at position 8, hydroxy groups at positions 5, 7 and 4' and a methoxy group at position 2'. Isolated from the roots of Sop hora flavescens and Sophora leachiana, it exhibits antineoplastic and antimalarial activity. ChEBI CHEBI:66559
      A trihydroxyflavanone that is (2S)-flavanone substituted by a lavandulyl group at position 8, hydroxy groups at positions 5, 7 and 4' and a methoxy group at position 2'. Isolated from; the roots of S ophora flavescens and Sophora leachiana, it exhibits antineoplastic and antimalarial activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66559

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

Density: 1.2±0.1 g/cm3
Boiling Point: 649.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 218.3±25.0 °C
Index of Refraction: 1.597
Molar Refractivity: 123.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.27
ACD/LogD (pH 5.5): 6.70
ACD/BCF (pH 5.5): 72627.59
ACD/KOC (pH 5.5): 104606.09
ACD/LogD (pH 7.4): 6.39
ACD/BCF (pH 7.4): 35392.25
ACD/KOC (pH 7.4): 50975.75
Polar Surface Area: 96 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 360.8±3.0 cm3

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