This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

1-Acetoxy-p-menthan-3-one

PubChem CID: 557663

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Compound Synonyms 1-Acetoxy-p-menth-3-one, 1-acetoxy-p-menthan-3-one, HSDAHIORJOTSNZ-UHFFFAOYSA-N, 4-Isopropyl-1-methyl-3-oxocyclohexyl acetate #
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 43.4
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CCCCC1
Np Classifier Class Menthane monoterpenoids, Monocyclic monoterpenoids
Deep Smiles CC=O)OCC)CCCC=O)C6))CC)C
Heavy Atom Count 15.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level OC1CCCCC1
Classyfire Subclass Monoterpenoids
Isotope Atom Count 0.0
Molecular Complexity 270.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (1-methyl-3-oxo-4-propan-2-ylcyclohexyl) acetate
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 1.9
Gsk 4 400 Rule True
Molecular Formula C12H20O3
Scaffold Graph Node Bond Level O=C1CCCCC1
Prediction Swissadme 1.0
Inchi Key HSDAHIORJOTSNZ-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.8333333333333334
Logs -1.608
Rotatable Bond Count 3.0
Logd 0.48
Synonyms 1-acetoxy-p-menth-3-one
Esol Class Soluble
Functional Groups CC(C)=O, COC(C)=O
Compound Name 1-Acetoxy-p-menthan-3-one
Prediction Hob Swissadme 1.0
Exact Mass 212.141
Formal Charge 0.0
Monoisotopic Mass 212.141
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 212.28
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 -2.1551918
Inchi InChI=1S/C12H20O3/c1-8(2)10-5-6-12(4,7-11(10)14)15-9(3)13/h8,10H,5-7H2,1-4H3
Smiles CC(C)C1CCC(CC1=O)(C)OC(=O)C
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 Abies Canadensis (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Anagallis Arvensis (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Asarum Canadensis (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Brassica Napus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10662616
  • 5. Outgoing r'ship FOUND_IN to/from Buglossoides Arvensis (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Calendula Arvensis (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Collinsonia Canadensis (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Convolvulus Arvensis (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Conyza Canadensis (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Dicentra Canadensis (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Erigeron Canadensis (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Filago Arvensis (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Goniothalamus Arvensis (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Hydrastis Canadensis (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Lactuca Canadensis (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Mentha Aquatica (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Mentha Cardiaca (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Mentha Cordifolia (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Mentha Diemenica (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Mentha Gattefossei (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Mentha Grandiflora (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Mentha Incana (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Mentha Japonica (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Mentha Longifolia (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Mentha Piperita (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Mentha Pulegiformis (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Mentha Pulegium (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Mentha Requienii (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Mentha Rotundifolia (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Mentha Spicata (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Mentha Suaveolens (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Mentha Sylvestris (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Mentha Timija (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Mentha X (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Nigella Arvensis (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Polygala Arvensis (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Ranunculus Arvensis (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Sambucus Canadensis (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Sanguinaria Canadensis (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Sinapis Arvensis (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Solidago Canadensis (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Sonchus Arvensis (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Spergula Arvensis (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Taxus Canadensis (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Torilis Arvensis (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Veronica Arvensis (Plant) Rel Props:Reference:
Back to Browse   Back to Home