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2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4S)-rel-

PubChem CID: 122484

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Compound Synonyms 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, trans-, EINECS 249-859-5, (1R,4S)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol, trans-1-Methyl-4-(1-methylethyl)-2-cyclohexen-1-ol, 29803-81-4, 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4S)-rel-, p-Menth-2-en-1-ol, trans-p-menth-2-en-1-ol, trans-4-(Isopropyl)-1-methylcyclohex-2-en-1-ol, 4-Isopropyl-1-methyl-2-cyclohexen-1-ol, trans-p-Menth-2-enol, t-p-Menth-2-en-1-ol, trans-p-2-Menthen-1-ol, trans-p-Ment-2-en-1-ol, (E)-p-2-Menthen-1-ol, trans-p-Menth-2-ene-1-ol, trans-p-Mentha-2-en-1-ol, (E)-p-menth-2-en-1-ol, p-Menth-2-en-1-ol, trans, trans-para-Menth-2-en-1-ol, (E)-p-Mentha-2-en-1-ol, trans-para-Menth-2-ene-1-ol, Menth-2-en-1-ol (trans-p), Menth-2-en-1-ol- trans-para, SCHEMBL4978490, (1r,4s)-p-menth-2-en-1-ol, (1R,4S)-4-Isopropyl-1-methylcyclohex-2-enol, 1-Methyl-4-(methylethyl)-(E)-2-cyclohexenol, 4-Isopropyl-1-methyl-2-cyclohexen-1-ol, (E)-, trans-2-Cyclohexene-1-ol-1-methyl-4(1-methylethyl)
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCCCC1
Np Classifier Class Menthane monoterpenoids
Deep Smiles CC[C@@H]CC[C@@]C=C6))C)O)))))C
Heavy Atom Count 11.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level C1CCCCC1
Classyfire Subclass Monoterpenoids
Isotope Atom Count 0.0
Molecular Complexity 160.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name (1R,4S)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 2.3
Gsk 4 400 Rule True
Molecular Formula C10H18O
Scaffold Graph Node Bond Level C1=CCCCC1
Prediction Swissadme 1.0
Inchi Key IZXYHAXVIZHGJV-UWVGGRQHSA-N
Silicos It Class Soluble
Fcsp3 0.8
Logs -2.773
Rotatable Bond Count 1.0
Logd 2.606
Synonyms menth-2-en-1-ol<trans-p->, p-trans-menth-2-en-1-ol, trans,p-menth-2-en-1-ol, trans-menth-2-en- 1-01, trans-menth-2-en-1-0l, trans-p-ment-2-en-1-ol, trans-p-menth-2 en-1-ol, trans-p-menth-2-en- 1-01, trans-p-menth-2-en- 1-0l, trans-p-menth-2-en-1 -ol, trans-p-menth-2-en-1-01, trans-p-menth-2-en-1-ol, trans-p-menth-2-en-1-ol 1, trans-p-menth-2en-1-ol, trans-ρ-menth-2-en, 1-ol, trum-p-menth-2-en-1-ol, tvanz-p-menth-2-en-1-ol
Esol Class Soluble
Functional Groups CC=CC, CO
Compound Name 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4S)-rel-
Prediction Hob Swissadme 1.0
Exact Mass 154.136
Formal Charge 0.0
Monoisotopic Mass 154.136
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 154.25
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -2.1730686
Inchi InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,8-9,11H,5,7H2,1-3H3/t9-,10-/m0/s1
Smiles CC(C)[C@@H]1CC[C@@](C=C1)(C)O
Nring 1.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Monoterpenoids

  • 1. Outgoing r'ship FOUND_IN to/from Achillea Millefolium (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1074
  • 2. Outgoing r'ship FOUND_IN to/from Achillea Santolina (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1147
  • 3. Outgoing r'ship FOUND_IN to/from Acorus Calamus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1331142
  • 4. Outgoing r'ship FOUND_IN to/from Aloysia Citriodora (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9698610
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  • 6. Outgoing r'ship FOUND_IN to/from Alpinia Malaccensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.751058
  • 7. Outgoing r'ship FOUND_IN to/from Alpinia Nigra (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699937
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  • 9. Outgoing r'ship FOUND_IN to/from Amomum Krervanh (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Amomum Subulatum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9712138
  • 11. Outgoing r'ship FOUND_IN to/from Anacardium Occidentale (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699302
  • 12. Outgoing r'ship FOUND_IN to/from Anethum Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700965
  • 13. Outgoing r'ship FOUND_IN to/from Angelica Archangelica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9697933
  • 14. Outgoing r'ship FOUND_IN to/from Annona Glabra (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699844
  • 15. Outgoing r'ship FOUND_IN to/from Anthriscus Nemorosa (Plant) Rel Props:Reference:https://doi.org/10.1016/j.sajb.2019.07.031
  • 16. Outgoing r'ship FOUND_IN to/from Artemisia Annua (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886968
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  • 18. Outgoing r'ship FOUND_IN to/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Artemisia Judaica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3291
  • 20. Outgoing r'ship FOUND_IN to/from Artemisia Laciniata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698029
  • 21. Outgoing r'ship FOUND_IN to/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Artemisia Persica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699162
  • 23. Outgoing r'ship FOUND_IN to/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Artemisia Roxburghiana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2014.987927
  • 25. Outgoing r'ship FOUND_IN to/from Artemisia Salsoloides (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730070603
  • 26. Outgoing r'ship FOUND_IN to/from Artemisia Scoparia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1426
  • 27. Outgoing r'ship FOUND_IN to/from Cananga Odorata (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(1998070)13:4&lt;235::aid-ffj733&gt;3.0.co;2-t
  • 28. Outgoing r'ship FOUND_IN to/from Carum Carvi (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1025919
  • 29. Outgoing r'ship FOUND_IN to/from Cinnamomum Glaucescens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698037
  • 30. Outgoing r'ship FOUND_IN to/from Cinnamomum Tamala (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700237
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  • 32. Outgoing r'ship FOUND_IN to/from Citrus Aurantiifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.10554242
  • 33. Outgoing r'ship FOUND_IN to/from Citrus Aurantium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 34. Outgoing r'ship FOUND_IN to/from Citrus Limon (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(1998070)13:4&lt;235::aid-ffj733&gt;3.0.co;2-t
  • 35. Outgoing r'ship FOUND_IN to/from Citrus Natsudaidai (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 36. Outgoing r'ship FOUND_IN to/from Citrus Paradisi (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1140090
  • 37. Outgoing r'ship FOUND_IN to/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 38. Outgoing r'ship FOUND_IN to/from Citrus Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 39. Outgoing r'ship FOUND_IN to/from Citrus Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 40. Outgoing r'ship FOUND_IN to/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 41. Outgoing r'ship FOUND_IN to/from Clausena Indica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10644003
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  • 43. Outgoing r'ship FOUND_IN to/from Cnidium Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 44. Outgoing r'ship FOUND_IN to/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699865
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  • 46. Outgoing r'ship FOUND_IN to/from Corymbia Citriodora (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730050207
  • 47. Outgoing r'ship FOUND_IN to/from Corymbia Maculata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9699453
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  • 50. Outgoing r'ship FOUND_IN to/from Cupressus Funebris (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9712130
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  • 53. Outgoing r'ship FOUND_IN to/from Curcuma Angustifolia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1680
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  • 56. Outgoing r'ship FOUND_IN to/from Cymbopogon Coloratus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9701009
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  • 81. Outgoing r'ship FOUND_IN to/from Gliricidia Sepium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1008231
  • 82. Outgoing r'ship FOUND_IN to/from Hansenia Forbesii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 83. Outgoing r'ship FOUND_IN to/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 84. Outgoing r'ship FOUND_IN to/from Hedychium Coronarium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643819
  • 85. Outgoing r'ship FOUND_IN to/from Heracleum Candolleanum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699304
  • 86. Outgoing r'ship FOUND_IN to/from Hyptis Suaveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701135
  • 87. Outgoing r'ship FOUND_IN to/from Hyssopus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1442753
  • 88. Outgoing r'ship FOUND_IN to/from Isodon Wightii (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1211963
  • 89. Outgoing r'ship FOUND_IN to/from Juniperus Chinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699152
  • 90. Outgoing r'ship FOUND_IN to/from Juniperus Communis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1527
  • 91. Outgoing r'ship FOUND_IN to/from Juniperus Excelsa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698036
  • 92. Outgoing r'ship FOUND_IN to/from Juniperus Indica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699942
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  • 95. Outgoing r'ship FOUND_IN to/from Juniperus Recurva (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700832
  • 96. Outgoing r'ship FOUND_IN to/from Juniperus Semiglobosa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698036
  • 97. Outgoing r'ship FOUND_IN to/from Laggera Pterodonta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 98. Outgoing r'ship FOUND_IN to/from Laurus Nobilis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700989
  • 99. Outgoing r'ship FOUND_IN to/from Ligusticum Chuanxiong (Plant) Rel Props:Source_db:npass_chem_all
  • 100. Outgoing r'ship FOUND_IN to/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 101. Outgoing r'ship FOUND_IN to/from Litsea Cubeba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 106. Outgoing r'ship FOUND_IN to/from Morina Longifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1437782
  • 107. Outgoing r'ship FOUND_IN to/from Murraya Koenigii (Plant) Rel Props:Reference:ISBN:9770972795006
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  • 109. Outgoing r'ship FOUND_IN to/from Nasturtium Officinale (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700076
  • 110. Outgoing r'ship FOUND_IN to/from Nepeta Cataria (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2006.10643479
  • 111. Outgoing r'ship FOUND_IN to/from Nepeta Nuda (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700933
  • 112. Outgoing r'ship FOUND_IN to/from Nigella Sativa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2003.10643354
  • 113. Outgoing r'ship FOUND_IN to/from Ocimum Americanum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699064
  • 114. Outgoing r'ship FOUND_IN to/from Ocimum Basilicum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(1998070)13:4&lt;235::aid-ffj733&gt;3.0.co;2-t
  • 115. Outgoing r'ship FOUND_IN to/from Ocimum Gratissimum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698966
  • 116. Outgoing r'ship FOUND_IN to/from Ocimum Kilimandscharicum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2014.942808
  • 117. Outgoing r'ship FOUND_IN to/from Ocimum Tenuiflorum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1108
  • 118. Outgoing r'ship FOUND_IN to/from Origanum Majorana (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730020204
  • 119. Outgoing r'ship FOUND_IN to/from Origanum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699865
  • 120. Outgoing r'ship FOUND_IN to/from Ostericum Grosseserratum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 121. Outgoing r'ship FOUND_IN to/from Pelargonium Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.12067128
  • 122. Outgoing r'ship FOUND_IN to/from Pinus Merkusii (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1609
  • 123. Outgoing r'ship FOUND_IN to/from Pinus Taeda (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699378
  • 124. Outgoing r'ship FOUND_IN to/from Piper Aduncum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698670
  • 125. Outgoing r'ship FOUND_IN to/from Piper Cubeba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 126. Outgoing r'ship FOUND_IN to/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 127. Outgoing r'ship FOUND_IN to/from Pistacia Lentiscus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1878
  • 128. Outgoing r'ship FOUND_IN to/from Platycladus Orientalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643943
  • 129. Outgoing r'ship FOUND_IN to/from Plectranthus Glandulosus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2001.9699615
  • 130. Outgoing r'ship FOUND_IN to/from Primula Macrophylla (Plant) Rel Props:Source_db:npass_chem_all
  • 131. Outgoing r'ship FOUND_IN to/from Ribes Nigrum (Plant) Rel Props:Reference:ISBN:9788185042145
  • 132. Outgoing r'ship FOUND_IN to/from Rosmarinus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(1998070)13:4&lt;235::aid-ffj733&gt;3.0.co;2-t
  • 133. Outgoing r'ship FOUND_IN to/from Salvia Nemorosa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698775
  • 134. Outgoing r'ship FOUND_IN to/from Salvia Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700989
  • 135. Outgoing r'ship FOUND_IN to/from Salvia Virgata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.793974
  • 136. Outgoing r'ship FOUND_IN to/from Satureja Montana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643720
  • 137. Outgoing r'ship FOUND_IN to/from Schinus Molle (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9700813
  • 138. Outgoing r'ship FOUND_IN to/from Selinum Vaginatum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.905873
  • 139. Outgoing r'ship FOUND_IN to/from Tagetes Minuta (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1358
  • 140. Outgoing r'ship FOUND_IN to/from Thymus Fedtschenkoi (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1036
  • 141. Outgoing r'ship FOUND_IN to/from Thymus Migricus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1036
  • 142. Outgoing r'ship FOUND_IN to/from Thymus Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699865
  • 143. Outgoing r'ship FOUND_IN to/from Trachyspermum Roxburghianum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9712203
  • 144. Outgoing r'ship FOUND_IN to/from Triphasia Trifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699376
  • 145. Outgoing r'ship FOUND_IN to/from Zanthoxylum Armatum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1024
  • 146. Outgoing r'ship FOUND_IN to/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 147. Outgoing r'ship FOUND_IN to/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all
  • 148. Outgoing r'ship FOUND_IN to/from Zanthoxylum Rhetsa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700364
  • 149. Outgoing r'ship FOUND_IN to/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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