ChemSpider 2D Image | 2-[(1S,6R)-6-Isopropenyl-3-methyl-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol | C21H30O2

2-[(1S,6R)-6-Isopropenyl-3-methyl-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol

  • Molecular FormulaC21H30O2
  • Average mass314.462 Da
  • Monoisotopic mass314.224579 Da
  • ChemSpider ID23014369

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Benzenediol, 2-[(1S,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl- [ACD/Index Name]
2-[(1S,6R)-3-Methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
2-[(1S,6R)-6-Isopropenyl-3-methyl-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol [ACD/IUPAC Name]
2-[(1S,6R)-6-Isopropényl-3-méthyl-2-cyclohexén-1-yl]-5-pentyl-1,3-benzènediol [French] [ACD/IUPAC Name]
2-[(1S,6R)-6-Isopropenyl-3-methyl-2-cyclohexen-1-yl]-5-pentyl-1,3-benzoldiol [German] [ACD/IUPAC Name]
(-)-Cannabidiol
(+)-Cannabidiol
[13956-29-1] [RN]
2-[(1R,6R)-3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol
74219-29-7 [RN]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 1570
      Cannabinoid Receptors Tocris Bioscience 1570
      Natural cannabinoid; GPR55 antagonist, weak CB1 antagonist, CB2 inverse agonist and AMT inhibitor Tocris Bioscience 1570
      Non-psychotropic constituent of cannabis that is anticonvulsive, antihyperalgesic and neuroprotective in vivo. GPR55 and weak CB1 antagonist (IC50 values are 0.445 and 3.35 ?M), CB2 receptor inverse a gonist and inhibitor of anandamide uptake (IC50 = 27.5 ?M). Also a weak agonist at VR1 vanilloid receptors (EC50 = 3.5 ?M). Tocris Bioscience 1570
      Non-psychotropic constituent of cannabis that is anticonvulsive, antihyperalgesic and neuroprotective in vivo. GPR55 and weak CB1 antagonist (IC50 values are 0.445 and 3.35 ?M), CB2 receptor inverse agonist and inhibitor of anandamide uptake (IC50 = 27.5 ?M). Also a weak agonist at VR1 vanilloid receptors (EC50 = 3.5 ?M). Tocris Bioscience 1570
      Non-psychotropic constituent of cannabis that is anticonvulsive, antihyperalgesic and neuroprotective in vivo. GPR55 and weak CB1 antagonist (IC50 values are 0.445 and 3.35 muM), CB2 receptor inverse agonist and inhibitor of anandamide uptake (IC50 = 27.5 muM). Also a weak agonist at VR1 vanilloid receptors (EC50 = 3.5 muM). Tocris Bioscience 1570
      Non-selective Cannabinoids Tocris Bioscience 1570

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

Density: 1.0±0.1 g/cm3
Boiling Point: 463.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 206.3±23.3 °C
Index of Refraction: 1.545
Molar Refractivity: 97.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 6.43
ACD/BCF (pH 5.5): 45343.46
ACD/KOC (pH 5.5): 74938.88
ACD/LogD (pH 7.4): 6.43
ACD/BCF (pH 7.4): 45089.62
ACD/KOC (pH 7.4): 74519.37
Polar Surface Area: 40 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 306.6±3.0 cm3

Click to predict properties on the Chemicalize site


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