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Gamma-Patchoulene

PubChem CID: 521302

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Compound Synonyms .gamma.-Patchoulene, gamma-Patchoulene, 1H-3a,7-Methanoazulene, 2,3,4,5,6,7,8,8a.alpha.-octahydro-1.beta.,9,9-trimethyl-4-methylene-, 1H-3a,7-Methanoazulene, octahydro-1,9,9-trimethyl-4-methylene-, (1.alpha.,3a.alpha.,7.alpha.,8a.beta.)-, g-Patchoulene, 508-55-4, 1H-3a,7-Methanoazulene, 2,3,4,5,6,7,8,8aalpha-octahydro-1beta,9,9-trimethyl-4-methylene-, 1H-3a,7-Methanoazulene, octahydro-1,9,9-trimethyl-4-methylene-, (1alpha,3aalpha,7alpha,8abeta)-
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CCC2CC3CCCC13C2
Np Classifier Class Patchoulane sesquiterpenoids
Deep Smiles CCCCCC5CCC5C)C))CCC7=C
Heavy Atom Count 15.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level CC1CCC2CC3CCCC13C2
Classyfire Subclass Sesquiterpenoids
Isotope Atom Count 0.0
Molecular Complexity 312.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 4,11,11-trimethyl-10-methylidenetricyclo[5.3.1.01,5]undecane
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 5.0
Gsk 4 400 Rule False
Molecular Formula C15H24
Scaffold Graph Node Bond Level C=C1CCC2CC3CCCC13C2
Prediction Swissadme 0.0
Inchi Key SLTLKLCDQWGISZ-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.8666666666666667
Logs -4.411
Rotatable Bond Count 0.0
Logd 3.911
Synonyms gamma-patchoulene, patchoulene, gamma-, γ-patchoulene
Esol Class Moderately soluble
Functional Groups C=C(C)C
Compound Name Gamma-Patchoulene
Prediction Hob Swissadme 0.0
Exact Mass 204.188
Formal Charge 0.0
Monoisotopic Mass 204.188
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 204.35
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -4.2570134
Inchi InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h10,12-13H,2,5-9H2,1,3-4H3
Smiles CC1CCC23C1CC(C2(C)C)CCC3=C
Nring 3.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Sesquiterpenoids

  • 1. Outgoing r'ship FOUND_IN to/from Acacia Pubescens (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Aeollanthus Pubescens (Plant) Rel Props:Reference:
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  • 24. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Reference:
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  • 45. Outgoing r'ship FOUND_IN to/from Ferula Ovina (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643640
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  • 52. Outgoing r'ship FOUND_IN to/from Micromelum Pubescens (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Morinda Pubescens (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Mussaenda Pubescens (Plant) Rel Props:Reference:
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  • 56. Outgoing r'ship FOUND_IN to/from Nardostachys Jatamansi (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1363001
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  • 58. Outgoing r'ship FOUND_IN to/from Ocimum Americanum (Plant) Rel Props:Reference:ISBN:9788185042145
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  • 61. Outgoing r'ship FOUND_IN to/from Passiflora Foetida (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643715
  • 62. Outgoing r'ship FOUND_IN to/from Peltogyne Pubescens (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Phyllanthus Muellerianus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1623721
  • 64. Outgoing r'ship FOUND_IN to/from Physalis Pubescens (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Pogostemon Cablin (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.705095
  • 66. Outgoing r'ship FOUND_IN to/from Pogostemon Pubescens (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Siegesbeckia Orientalis (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Sigesbeckia Pubescens (Plant) Rel Props:Reference:
  • 69. Outgoing r'ship FOUND_IN to/from Solanum Pubescens (Plant) Rel Props:Reference:
  • 70. Outgoing r'ship FOUND_IN to/from Swertia Pubescens (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Syringa Afghanica (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Syringa Amurensis (Plant) Rel Props:Reference:
  • 73. Outgoing r'ship FOUND_IN to/from Syringa Persica (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Syringa Pinnafolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 75. Outgoing r'ship FOUND_IN to/from Syringa Pubescens (Plant) Rel Props:Reference:
  • 76. Outgoing r'ship FOUND_IN to/from Syringa Vulgaris (Plant) Rel Props:Reference:
  • 77. Outgoing r'ship FOUND_IN to/from Valeriana Amurensis (Plant) Rel Props:Reference:
  • 78. Outgoing r'ship FOUND_IN to/from Valeriana Cardamines (Plant) Rel Props:Reference:
  • 79. Outgoing r'ship FOUND_IN to/from Valeriana Dubia (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Valeriana Fedtschenkoi (Plant) Rel Props:Reference:
  • 81. Outgoing r'ship FOUND_IN to/from Valeriana Hardwickii (Plant) Rel Props:Reference:
  • 82. Outgoing r'ship FOUND_IN to/from Valeriana Jatamansi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 83. Outgoing r'ship FOUND_IN to/from Valeriana Jatamansii (Plant) Rel Props:Reference:
  • 84. Outgoing r'ship FOUND_IN to/from Valeriana Laxiflora (Plant) Rel Props:Reference:
  • 85. Outgoing r'ship FOUND_IN to/from Valeriana Leschenaultia (Plant) Rel Props:Reference:
  • 86. Outgoing r'ship FOUND_IN to/from Valeriana Microphylla (Plant) Rel Props:Reference:
  • 87. Outgoing r'ship FOUND_IN to/from Valeriana Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698753
  • 88. Outgoing r'ship FOUND_IN to/from Valeriana Wallichii (Plant) Rel Props:Reference:
  • 89. Outgoing r'ship FOUND_IN to/from Valeriana Wolgensis (Plant) Rel Props:Reference:
  • 90. Outgoing r'ship FOUND_IN to/from Vasconcellea Pubescens (Plant) Rel Props:Reference:
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