ChemSpider 2D Image | Militarinone A | C26H37NO6

Militarinone A

  • Molecular FormulaC26H37NO6
  • Average mass459.575 Da
  • Monoisotopic mass459.262085 Da
  • ChemSpider ID26384876
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2(1H)-Pyridinone, 5-(cis-1,4-dihydroxycyclohexyl)-1,4-dihydroxy-3-[(2E,4E,6E,8R,10R)-6,8,10-trimethyl-1-oxo-2,4,6-dodecatrien-1-yl]- [ACD/Index Name]
5-(cis-1,4-Dihydroxycyclohexyl)-1,4-dihydroxy-3-[(2E,4E,6E,8R,10R)-6,8,10-trimethyl-2,4,6-dodecatrienoyl]-2(1H)-pyridinon [German] [ACD/IUPAC Name]
5-(cis-1,4-Dihydroxycyclohexyl)-1,4-dihydroxy-3-[(2E,4E,6E,8R,10R)-6,8,10-trimethyl-2,4,6-dodecatrienoyl]-2(1H)-pyridinone [ACD/IUPAC Name]
5-(cis-1,4-Dihydroxycyclohexyl)-1,4-dihydroxy-3-[(2E,4E,6E,8R,10R)-6,8,10-triméthyl-2,4,6-dodecatrienoyl]-2(1H)-pyridinone [French] [ACD/IUPAC Name]
Militarinone A
  • Miscellaneous
    • Chemical Class:

      A pyridine alkaloid that is 1,4-dihydroxypyridin-2(1<element>H</element>)-one substituted by a <stereo>cis</stereo>-1,4-dihydroxycyclohexyl group at position 5 and a (2<stereo>E</stereo>,4<stereo>E</s tereo>,6<stereo>E</stereo>,8<stereo>R</stereo>,10<stereo>R</stereo>)-6,8,10-trimethyldodeca-2,4,6-trienoyl moiety at position 3. It is isolated from the mycelium of the entomogenous fungus, <ital>Paec ilomyces militaris</ital> and has been found to induce pronounced neurite sprouting. ChEBI CHEBI:31850
      A pyridine alkaloid that is 1,4-dihydroxypyridin-2(1H)-one substituted by a cis-1,4-dihydroxycyclohexyl group at position 5 and a (2E,4E,6E,8R,10R)-6,8,10-trimethyldodeca-2,4,6-trienoyl moiety at posi tion 3. It is isolated from the mycelium of the entomogenous fungus, Paecilomyces militaris and has been found to induce pronounced neurite sprouting. ChEBI, CHEBI:31850

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

Density: 1.2±0.1 g/cm3
Boiling Point: 610.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.0±6.0 kJ/mol
Flash Point: 323.1±34.3 °C
Index of Refraction: 1.608
Molar Refractivity: 127.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 4.06
ACD/KOC (pH 5.5): 38.36
ACD/LogD (pH 7.4): -1.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 368.3±3.0 cm3

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