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Hedycaryol

PubChem CID: 6432240

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Compound Synonyms Hedycaryol, 2-[(1S,3Z,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol, 3,7-Cyclodecadiene-1-methanol, .alpha.,.alpha.,4,8-tetramethyl-, [s-(Z,Z)], CHEBI:157729, 21657-90-9, 2-(4,8-Dimethyl-3,7-cyclodecadien-1-yl)-2-propanol #, 3,7-Cyclodecadiene-1-methanol, alpha,alpha,4,8-tetramethyl-, (s-(Z,Z))
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCCCCCCCC1
Np Classifier Class Germacrane sesquiterpenoids
Deep Smiles C/C=C/CC/C=CC[C@H]CC%10))CO)C)C)))))/C
Heavy Atom Count 16.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level C1CCCCCCCCC1
Classyfire Subclass Sesquiterpenoids
Isotope Atom Count 0.0
Molecular Complexity 284.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name 2-[(1S,3Z,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 3.1
Gsk 4 400 Rule False
Molecular Formula C15H26O
Scaffold Graph Node Bond Level C1=CCCCCC=CCC1
Prediction Swissadme 1.0
Inchi Key SDMLCXJKAYFHQM-LIJSYYTGSA-N
Silicos It Class Soluble
Fcsp3 0.7333333333333333
Logs -3.218
Rotatable Bond Count 1.0
Logd 3.384
Synonyms hedycaryol
Esol Class Soluble
Functional Groups C/C=C(C)C, CO
Compound Name Hedycaryol
Prediction Hob Swissadme 1.0
Exact Mass 222.198
Formal Charge 0.0
Monoisotopic Mass 222.198
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 222.37
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 2.0
Lipinski Rule Of 5 True
Esol -3.1309064
Inchi InChI=1S/C15H26O/c1-12-6-5-7-13(2)9-11-14(10-8-12)15(3,4)16/h6,9,14,16H,5,7-8,10-11H2,1-4H3/b12-6-,13-9-/t14-/m0/s1
Smiles C/C/1=C/CC/C(=C\C[C@H](CC1)C(C)(C)O)/C
Nring 1.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 2.0
Egan Rule True
Np Classifier Superclass Sesquiterpenoids

  • 1. Outgoing r'ship FOUND_IN to/from Achillea Millefolium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644015
  • 2. Outgoing r'ship FOUND_IN to/from Alangium Chinense (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Allium Chinense (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Alpinia Malaccensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1374216
  • 5. Outgoing r'ship FOUND_IN to/from Amomum Aculeatum (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Amomum Aromaticum (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Amomum Compactum (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Amomum Daniellii (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Amomum Dealbatum (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Amomum Kepulaga (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Amomum Kravanh (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Amomum Krervanh (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Amomum Longiligulare (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Amomum Melegueta (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Amomum Muricarpum (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Amomum Neoaurantiacum (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Amomum Reticulatum (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Amomum Subulatum (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Amomum Sulcatum (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Amomum Testaceum (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Amomum Villosum (Plant) Rel Props:Source_db:npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Amomum Xanthioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Amomum Zambesiacum (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Amomum Zingiber (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Anaphalis Margaritacea (Plant) Rel Props:Reference:https://doi.org/10.20959/wjpr201714-9923
  • 26. Outgoing r'ship FOUND_IN to/from Betula Utilis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1036569
  • 27. Outgoing r'ship FOUND_IN to/from Bupleurum Aureum (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Bupleurum Chaishoui (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 30. Outgoing r'ship FOUND_IN to/from Bupleurum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 31. Outgoing r'ship FOUND_IN to/from Bupleurum Flacatum (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Bupleurum Fruticescens (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Bupleurum Fruticosum (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Bupleurum Hamiltonii (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Bupleurum Longicaule (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Bupleurum Longiradiatum (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Bupleurum Marginatum (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Bupleurum Polyclonum (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Bupleurum Rigidum (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Bupleurum Rockii (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Bupleurum Rotundifolium (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Bupleurum Salicifolium (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 44. Outgoing r'ship FOUND_IN to/from Bupleurum Sibiricum (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Bupleurum Smithii (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Caryocar Villosum (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Chaerophyllum Villosum (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Cirsium Chinense (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Citrus Aurantiifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9701030
  • 50. Outgoing r'ship FOUND_IN to/from Citrus Maxima (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9701030
  • 51. Outgoing r'ship FOUND_IN to/from Clerodendrum Chinense (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Clinopodium Chinense (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Corymbia Citriodora (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1383192
  • 54. Outgoing r'ship FOUND_IN to/from Cymbopogon Khasianus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1661797
  • 55. Outgoing r'ship FOUND_IN to/from Cynanchum Chinense (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Cyrtomium Falcatum (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Elaichi Amomum (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Empetrum Nigrum (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Eriosema Chinense (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Eupatorium Chinense (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Foeniculum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1383192
  • 62. Outgoing r'ship FOUND_IN to/from Ganophyllum Falcatum (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Hedychium Spicatum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643819
  • 64. Outgoing r'ship FOUND_IN to/from Hedychium Villosum (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Hypericum Chinense (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Hyssopus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060109
  • 67. Outgoing r'ship FOUND_IN to/from Juniperus Chinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.901617
  • 68. Outgoing r'ship FOUND_IN to/from Lippia Alba (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1431966
  • 69. Outgoing r'ship FOUND_IN to/from Loropetalum Chinense (Plant) Rel Props:Reference:
  • 70. Outgoing r'ship FOUND_IN to/from Lycium Chinense (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Lycopodium Chinense (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Mentha Piperita (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1261
  • 73. Outgoing r'ship FOUND_IN to/from Mentha Spicata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1632746
  • 74. Outgoing r'ship FOUND_IN to/from Micromelum Falcatum (Plant) Rel Props:Reference:
  • 75. Outgoing r'ship FOUND_IN to/from Ocimum Basilicum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.931255
  • 76. Outgoing r'ship FOUND_IN to/from Ocimum Gratissimum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.931255
  • 77. Outgoing r'ship FOUND_IN to/from Ocimum Tenuiflorum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.931255
  • 78. Outgoing r'ship FOUND_IN to/from Oplopanax Elatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 79. Outgoing r'ship FOUND_IN to/from Oplopanax Horridus (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Phellodendron Chinense (Plant) Rel Props:Reference:
  • 81. Outgoing r'ship FOUND_IN to/from Piper Acutifolium (Plant) Rel Props:Reference:
  • 82. Outgoing r'ship FOUND_IN to/from Piper Aduncum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1369
  • 83. Outgoing r'ship FOUND_IN to/from Piper Aequale (Plant) Rel Props:Reference:
  • 84. Outgoing r'ship FOUND_IN to/from Piper Angustifolium (Plant) Rel Props:Reference:
  • 85. Outgoing r'ship FOUND_IN to/from Piper Arboreum (Plant) Rel Props:Reference:
  • 86. Outgoing r'ship FOUND_IN to/from Piper Argyrophyllum (Plant) Rel Props:Reference:
  • 87. Outgoing r'ship FOUND_IN to/from Piper Attenuatum (Plant) Rel Props:Reference:
  • 88. Outgoing r'ship FOUND_IN to/from Piper Baccatum (Plant) Rel Props:Reference:
  • 89. Outgoing r'ship FOUND_IN to/from Piper Banksii (Plant) Rel Props:Reference:
  • 90. Outgoing r'ship FOUND_IN to/from Piper Bantamense (Plant) Rel Props:Reference:
  • 91. Outgoing r'ship FOUND_IN to/from Piper Barberi (Plant) Rel Props:Reference:
  • 92. Outgoing r'ship FOUND_IN to/from Piper Bavinum (Plant) Rel Props:Reference:
  • 93. Outgoing r'ship FOUND_IN to/from Piper Betel (Plant) Rel Props:Reference:
  • 94. Outgoing r'ship FOUND_IN to/from Piper Betle (Plant) Rel Props:Reference:
  • 95. Outgoing r'ship FOUND_IN to/from Piper Betleoides (Plant) Rel Props:Reference:
  • 96. Outgoing r'ship FOUND_IN to/from Piper Boehmeriaefolium (Plant) Rel Props:Reference:
  • 97. Outgoing r'ship FOUND_IN to/from Piper Brachystachyum (Plant) Rel Props:Reference:
  • 98. Outgoing r'ship FOUND_IN to/from Piper Callosum (Plant) Rel Props:Reference:
  • 99. Outgoing r'ship FOUND_IN to/from Piper Caninum (Plant) Rel Props:Reference:
  • 100. Outgoing r'ship FOUND_IN to/from Piper Chaba (Plant) Rel Props:Reference:
  • 101. Outgoing r'ship FOUND_IN to/from Piper Crassinervium (Plant) Rel Props:Reference:
  • 102. Outgoing r'ship FOUND_IN to/from Piper Cubeba (Plant) Rel Props:Reference:
  • 103. Outgoing r'ship FOUND_IN to/from Piper Diffusum (Plant) Rel Props:Reference:
  • 104. Outgoing r'ship FOUND_IN to/from Piper Dilatatum (Plant) Rel Props:Reference:
  • 105. Outgoing r'ship FOUND_IN to/from Piper Divaricatum (Plant) Rel Props:Reference:
  • 106. Outgoing r'ship FOUND_IN to/from Piper Elongatum (Plant) Rel Props:Reference:
  • 107. Outgoing r'ship FOUND_IN to/from Piper Futokadsura (Plant) Rel Props:Reference:
  • 108. Outgoing r'ship FOUND_IN to/from Piper Griffthii (Plant) Rel Props:Reference:
  • 109. Outgoing r'ship FOUND_IN to/from Piper Guineense (Plant) Rel Props:Reference:
  • 110. Outgoing r'ship FOUND_IN to/from Piper Hamiltonii (Plant) Rel Props:Reference:
  • 111. Outgoing r'ship FOUND_IN to/from Piper Hancei (Plant) Rel Props:Reference:
  • 112. Outgoing r'ship FOUND_IN to/from Piper Hispidum (Plant) Rel Props:Reference:
  • 113. Outgoing r'ship FOUND_IN to/from Piper Hookeri (Plant) Rel Props:Reference:
  • 114. Outgoing r'ship FOUND_IN to/from Piper Hostmannianum (Plant) Rel Props:Reference:
  • 115. Outgoing r'ship FOUND_IN to/from Piper Kadsura (Plant) Rel Props:Reference:
  • 116. Outgoing r'ship FOUND_IN to/from Piper Lanceifolium (Plant) Rel Props:Reference:
  • 117. Outgoing r'ship FOUND_IN to/from Piper Longum (Plant) Rel Props:Reference:
  • 118. Outgoing r'ship FOUND_IN to/from Piper Marginatum (Plant) Rel Props:Reference:
  • 119. Outgoing r'ship FOUND_IN to/from Piper Methysticum (Plant) Rel Props:Reference:
  • 120. Outgoing r'ship FOUND_IN to/from Piper Mullesua (Plant) Rel Props:Reference:
  • 121. Outgoing r'ship FOUND_IN to/from Piper Nepalens (Plant) Rel Props:Reference:
  • 122. Outgoing r'ship FOUND_IN to/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 123. Outgoing r'ship FOUND_IN to/from Piper Officinarum (Plant) Rel Props:Reference:
  • 124. Outgoing r'ship FOUND_IN to/from Piper Pedicellatum (Plant) Rel Props:Reference:
  • 125. Outgoing r'ship FOUND_IN to/from Piper Pedicellosum (Plant) Rel Props:Reference:
  • 126. Outgoing r'ship FOUND_IN to/from Piper Peepuloides (Plant) Rel Props:Reference:
  • 127. Outgoing r'ship FOUND_IN to/from Piper Polysyphorum (Plant) Rel Props:Reference:
  • 128. Outgoing r'ship FOUND_IN to/from Piper Puberulum (Plant) Rel Props:Reference:
  • 129. Outgoing r'ship FOUND_IN to/from Piper Regnellii (Plant) Rel Props:Reference:
  • 130. Outgoing r'ship FOUND_IN to/from Piper Retrofractum (Plant) Rel Props:Reference:
  • 131. Outgoing r'ship FOUND_IN to/from Piper Sanctum (Plant) Rel Props:Reference:
  • 132. Outgoing r'ship FOUND_IN to/from Piper Sarmentosum (Plant) Rel Props:Reference:
  • 133. Outgoing r'ship FOUND_IN to/from Piper Schmidtii (Plant) Rel Props:Reference:
  • 134. Outgoing r'ship FOUND_IN to/from Piper Spp (Plant) Rel Props:Reference:
  • 135. Outgoing r'ship FOUND_IN to/from Piper Sylvaticum (Plant) Rel Props:Reference:
  • 136. Outgoing r'ship FOUND_IN to/from Piper Taboganum (Plant) Rel Props:Reference:
  • 137. Outgoing r'ship FOUND_IN to/from Piper Taiwanense (Plant) Rel Props:Reference:
  • 138. Outgoing r'ship FOUND_IN to/from Piper Thomsonii (Plant) Rel Props:Reference:
  • 139. Outgoing r'ship FOUND_IN to/from Piper Trichostachyon (Plant) Rel Props:Reference:
  • 140. Outgoing r'ship FOUND_IN to/from Piper Trioicum (Plant) Rel Props:Reference:
  • 141. Outgoing r'ship FOUND_IN to/from Piper Tuberculatum (Plant) Rel Props:Reference:
  • 142. Outgoing r'ship FOUND_IN to/from Piper Umbellatum (Plant) Rel Props:Reference:
  • 143. Outgoing r'ship FOUND_IN to/from Piper Wallichii (Plant) Rel Props:Reference:
  • 144. Outgoing r'ship FOUND_IN to/from Piper Wightii (Plant) Rel Props:Reference:
  • 145. Outgoing r'ship FOUND_IN to/from Podocarpus Elatus (Plant) Rel Props:Reference:
  • 146. Outgoing r'ship FOUND_IN to/from Polygonatum Falcatum (Plant) Rel Props:Reference:
  • 147. Outgoing r'ship FOUND_IN to/from Polygonum Chinense (Plant) Rel Props:Reference:
  • 148. Outgoing r'ship FOUND_IN to/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1431152
  • 149. Outgoing r'ship FOUND_IN to/from Pterocarpus Macrocarpus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1278183
  • 150. Outgoing r'ship FOUND_IN to/from Ribes Fasciculatum (Plant) Rel Props:Reference:
  • 151. Outgoing r'ship FOUND_IN to/from Ribes Nigrum (Plant) Rel Props:Reference:
  • 152. Outgoing r'ship FOUND_IN to/from Salvia Sclarea (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1261
  • 153. Outgoing r'ship FOUND_IN to/from Selinum Vaginatum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1543030
  • 154. Outgoing r'ship FOUND_IN to/from Solanum Nigrum (Plant) Rel Props:Reference:
  • 155. Outgoing r'ship FOUND_IN to/from Solanum Villosum (Plant) Rel Props:Reference:
  • 156. Outgoing r'ship FOUND_IN to/from Thesium Chinense (Plant) Rel Props:Reference:
  • 157. Outgoing r'ship FOUND_IN to/from Veratrum Nigrum (Plant) Rel Props:Reference:
  • 158. Outgoing r'ship FOUND_IN to/from Verbascum Chinense (Plant) Rel Props:Reference:
  • 159. Outgoing r'ship FOUND_IN to/from Vernonia Chinense (Plant) Rel Props:Reference:
  • 160. Outgoing r'ship FOUND_IN to/from Zingiber Officinale (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1417747
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