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Search term: 3''-hydroxygeranylhydroquinone (Found by synonym)

ChemSpider 2D Image | 3''-hydroxy-geranylhydroquinone | C16H22O3

3''-hydroxy-geranylhydroquinone

  • Molecular FormulaC16H22O3
  • Average mass262.344 Da
  • Monoisotopic mass262.156891 Da
  • ChemSpider ID26332142
  • Double-bond stereo - Double-bond stereo


More details:






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

1,4-Benzenediol, 2-[(2Z)-3-(hydroxymethyl)-7-methyl-2,6-octadien-1-yl]- [ACD/Index Name]
2-[(2Z)-3-(Hydroxymethyl)-7-methyl-2,6-octadien-1-yl]-1,4-benzenediol [ACD/IUPAC Name]
2-[(2Z)-3-(Hydroxyméthyl)-7-méthyl-2,6-octadién-1-yl]-1,4-benzènediol [French] [ACD/IUPAC Name]
2-[(2Z)-3-(Hydroxymethyl)-7-methyl-2,6-octadien-1-yl]-1,4-benzoldiol [German] [ACD/IUPAC Name]
3''-hydroxy-geranylhydroquinone
2-[(2Z)-3-(hydroxymethyl)-7-methylocta-2,6-dien-1-yl]benzene-1,4-diol
3''-hydroxygeranylhydroquinone
  • Miscellaneous
    • Chemical Class:

      A polyprenylhydroquinone consisting of hydroquinone in which the hydrogen at position 2 is substituted by a (2<stereo>Z</stereo>)-3-(hydroxymethyl)-7-methylocta-2,6-dien-1-yl group. ChEBI CHEBI:61158
      A polyprenylhydroquinone consisting of hydroquinone in which the hydrogen at position 2 is substituted by a (2Z)-3-(hydroxymethyl)-7-methylocta-2,6-dien-1-yl group. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:61158
    • Compound Source:

      Linum usitatissimum PlantCyc CPD-9320
      shikonin biosynthesis PlantCyc CPD-9320
    • Bio Activity:

      3''-hydroxy-geranylhydroquinone -> deoxyshikonin PlantCyc CPD-9320
      geranylhydroquinone + NADPH + H+ + oxygen -> 3''-hydroxy-geranylhydroquinone + NADP+ + H2O PlantCyc CPD-9320

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

Density: 1.1±0.1 g/cm3
Boiling Point: 466.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 220.3±23.3 °C
Index of Refraction: 1.576
Molar Refractivity: 78.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 165.76
ACD/KOC (pH 5.5): 1349.94
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 165.60
ACD/KOC (pH 7.4): 1348.64
Polar Surface Area: 61 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 235.5±3.0 cm3

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