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

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

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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