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Piperitol

PubChem CID: 10282

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Compound Synonyms p-Menth-1-en-3-ol, 491-04-3, 3-Carvomenthenol, 3-methyl-6-propan-2-ylcyclohex-2-en-1-ol, Piperitol (monoterpene), 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, 6-(Isopropyl)-3-methylcyclohex-2-en-1-ol, 1-Methyl-4-isopropyl-1-cyclohexen-3-ol, HSDB 5666, EINECS 207-725-3, 3-Methyl-6-(1-methylethyl)-2-cyclohexen-1-ol, 3-HYDROXY-4-ISOPROPYL-1-METHYLCYCLOHEXENE, (Z)-Piperitol, UNII-7UM0ILT6I7, 3Carvomenthenol, FEMA No. 3179, Piperitol?, 11063-75-5, pMenth1en3ol, PIPERITOL [HSDB], 7UM0ILT6I7, 1Methyl4isopropyl1cyclohexen3ol, SCHEMBL1245098, DTXSID0052128, FEMA 3179, 6(Isopropyl)3methylcyclohex2en1ol, 3Methyl6(1methylethyl)2cyclohexen1ol, P-MENTH-1-EN-3-OL [FHFI], 6-isopropyl-3-methyl-cyclohex-2-enol, AKOS025295367, 2Cyclohexen1ol, 3methyl6(1methylethyl), 6-Isopropyl-3-methyl-2-cyclohexen-1-ol, DB-323839, NS00022231, 3-Methyl-6-(1-methylethyl)-2-cyclohexen-1-ol, 9CI, Cyclohexane, 1-methyl-4-(1-methylethyl)-, didehydro monohydroxy deriv.
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=CCCCC6))CC)C)))O
Heavy Atom Count 11.0
Classyfire Class Prenol lipids
Description Flavouring material with a pungent taste. p-Menth-1-en-3-ol is found in dill, cumin, and spearmint.
Scaffold Graph Node Level C1CCCCC1
Classyfire Subclass Monoterpenoids
Isotope Atom Count 0.0
Molecular Complexity 158.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 3-methyl-6-propan-2-ylcyclohex-2-en-1-ol
Prediction Hob 1.0
Class Prenol lipids
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 2.1
Superclass Lipids and lipid-like molecules
Subclass Monoterpenoids
Gsk 4 400 Rule True
Molecular Formula C10H18O
Scaffold Graph Node Bond Level C1=CCCCC1
Prediction Swissadme 1.0
Inchi Key HPOHAUWWDDPHRS-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.8
Logs -2.451
Rotatable Bond Count 1.0
Logd 2.716
Synonyms 1-Methyl-4-isopropyl-1-cyclohexen-3-ol, 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, 3-Carvomenthenol, 3-Hydroxy-4-isopropyl-1-methylcyclohexene, 3-Methyl-6-(1-methylethyl)-2-cyclohexen-1-ol, 3-Methyl-6-(1-methylethyl)-2-cyclohexen-1-ol, 9CI, 6-(Isopropyl)-3-methylcyclohex-2-en-1-ol, 6-Isopropyl-3-methyl-2-cyclohexen-1-ol, FEMA 3179, Piperitol (monoterpene), Piperitol?, Terpinen-3-ol, 3-Methyl-6-(1-methylethyl)-2-cyclohexen-1-ol, 9ci, piperitol
Esol Class Soluble
Functional Groups CC=C(C)C, CO
Compound Name Piperitol
Kingdom Organic compounds
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
Molecular Framework Aliphatic homomonocyclic compounds
Lipinski Rule Of 5 True
Esol -2.0722686
Inchi InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9-11H,4-5H2,1-3H3
Smiles CC1=CC(C(CC1)C(C)C)O
Nring 1.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Menthane monoterpenoids
Np Classifier Superclass Monoterpenoids

  • 1. Outgoing r'ship FOUND_IN to/from Aegle Marmelos (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698520
  • 2. Outgoing r'ship FOUND_IN to/from Anethum Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Asarum Heterotropoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Asarum Sieboldii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Bunium Persicum (Plant) Rel Props:Reference:ISBN:9770972795006
  • 12. Outgoing r'ship FOUND_IN to/from Carum Carvi (Plant) Rel Props:Reference:ISBN:9770972795006
  • 13. Outgoing r'ship FOUND_IN to/from Citrus Japonica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698819
  • 14. Outgoing r'ship FOUND_IN to/from Citrus Maxima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Cnidium Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Corymbia Citriodora (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730050207
  • 17. Outgoing r'ship FOUND_IN to/from Cuminum Cyminum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Cymbopogon Jwarancusa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9700744
  • 19. Outgoing r'ship FOUND_IN to/from Eleutherococcus Trifoliatus (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199901/02)14:1<41::aid-ffj781>3.0.co;2-b
  • 20. Outgoing r'ship FOUND_IN to/from Eucalyptus Camaldulensis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730050207
  • 21. Outgoing r'ship FOUND_IN to/from Eucalyptus Globulus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2001.9699668
  • 22. Outgoing r'ship FOUND_IN to/from Eucalyptus Obliqua (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730050207
  • 23. Outgoing r'ship FOUND_IN to/from Eucalyptus Robusta (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2001.9699668
  • 24. Outgoing r'ship FOUND_IN to/from Eucalyptus Sideroxylon (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2001.9699668
  • 25. Outgoing r'ship FOUND_IN to/from Eucalyptus Tereticornis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730050207
  • 26. Outgoing r'ship FOUND_IN to/from Eucalyptus Urophylla (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700385
  • 27. Outgoing r'ship FOUND_IN to/from Eucalyptus Viminalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2001.9699668
  • 28. Outgoing r'ship FOUND_IN to/from Ligusticum Chuanxiong (Plant) Rel Props:Source_db:npass_chem_all
  • 29. Outgoing r'ship FOUND_IN to/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 30. Outgoing r'ship FOUND_IN to/from Mentha Longifolia (Plant) Rel Props:Source_db:fooddb_chem_all
  • 31. Outgoing r'ship FOUND_IN to/from Mentha Pulegium (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1766
  • 32. Outgoing r'ship FOUND_IN to/from Mentha Rotundifolia (Plant) Rel Props:Reference:ISBN:9788172362461
  • 33. Outgoing r'ship FOUND_IN to/from Mosla Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 34. Outgoing r'ship FOUND_IN to/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 35. Outgoing r'ship FOUND_IN to/from Origanum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643917
  • 36. Outgoing r'ship FOUND_IN to/from Santolina Chamaecyparissus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.884769
  • 37. Outgoing r'ship FOUND_IN to/from Seriphidium Brevifolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698005
  • 38. Outgoing r'ship FOUND_IN to/from Sesamum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 39. Outgoing r'ship FOUND_IN to/from Trachyspermum Roxburghianum (Plant) Rel Props:Reference:ISBN:9788172361150
  • 40. Outgoing r'ship FOUND_IN to/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 41. Outgoing r'ship FOUND_IN to/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all
  • 42. Outgoing r'ship FOUND_IN to/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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