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p-Menth-4(8)-en-3-one

PubChem CID: 6988

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Compound Synonyms p-Menth-4(8)-en-3-one, 15932-80-6, (+-)-Pulegone, 2-Isopropylidene-5-methylcyclohexanone, 4(8)-p-Menthen-3-one, 5-Methyl-2-(1-methylethylidene)cyclohexanone, Cyclohexanone, 5-methyl-2-(1-methylethylidene)-, 5-Methyl-2-isopropylidenecyclohexanone, d-p-Menth-4(8)-en-3-one, (RS)-PULEGONE, DES3HN9CU5, EINECS 240-070-1, 5-methyl-2-propan-2-ylidenecyclohexan-1-one, CHEBI:26381, PULEGONE, (+-)-, 1-Isopropylidene-4-methyl-2-cyclohexanone, 1-Methyl-4-isopropylidene-3-cyclohexanone, 5-methyl-2-(propan-2-ylidene)cyclohexan-1-one, Cyclohexanone,5-methyl-2-(1-methylethylidene)-, MFCD00063000, (R)-p-Menth-4(8)-en-3-one, (S)-()-Pulegone, PULEGONE, (D), DTXSID3051757, .beta.-Pulegone, 2-isopropylidene-5-methyl-cyclohexanone, (+)-1-Methyl-4-isopropylidene-3-cyclohexanone, Cyclohexanone, (R)-, (.+/-.)-Pulegone, UNII-DES3HN9CU5, SCHEMBL58181, Delta-4,8-p-menthen-3-one, CHEMBL1898498, WLN: L6VYTJ BUY1&1 E1, NSC15334, AKOS000120408, NCGC00091549-01, NCGC00091549-02, SY057213, 2-isopropylidene-5-methyl-cyclohexan-1-one, DB-068907, DB-286425, 5-Methyl-2-(propan-2-ylidene)cyclohexanone, M0407, NS00013169, EN300-20279, Q27109902, 240-070-1
Topological Polar Surface Area 17.1
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 11.0
Description Occurs in oils of Mentha subspecies, Hedeoma pulegioides and many other essential oils. Fragrance and flavour ingredient. (R)-p-Menth-4(8)-en-3-one is found in many foods, some of which are blackcurrant, pepper (c. frutescens), spearmint, and red bell pepper.
Isotope Atom Count 0.0
Molecular Complexity 197.0
Database Name cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q03181, Q96RI1
Iupac Name 5-methyl-2-propan-2-ylidenecyclohexan-1-one
Prediction Hob 1.0
Xlogp 2.8
Molecular Formula C10H16O
Prediction Swissadme 0.0
Inchi Key NZGWDASTMWDZIW-UHFFFAOYSA-N
Fcsp3 0.7
Logs -2.814
Rotatable Bond Count 0.0
Logd 2.957
Synonyms (+)-4(8)-Para-menthen-3-one, (+)-Pulegone, (1R)-(+)-p-Menth-4(8)-en-3-one, (R)-Pulegone, D-Pulegone, FEMA 2963, p-Menth-4(8)-en-3-one
Compound Name p-Menth-4(8)-en-3-one
Prediction Hob Swissadme 0.0
Exact Mass 152.12
Formal Charge 0.0
Monoisotopic Mass 152.12
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 152.23
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -2.7242694
Inchi InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3
Smiles CC1CCC(=C(C)C)C(=O)C1
Nring 1.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Actaea Cimicifuga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Actaea Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Actaea Simplex (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Agastache Rugosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Capsicum Frutescens (Plant) Rel Props:Source_db:fooddb_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Cinnamomum Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Cinnamomum Cassia (Plant) Rel Props:Source_db:npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Echinops Grijsii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Ligusticum Jeholense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Ligusticum Tenuissimum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Melia Azedarach (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Mentha Aquatica (Plant) Rel Props:Source_db:fooddb_chem_all;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Mentha Longifolia (Plant) Rel Props:Source_db:fooddb_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Mentha Rotundifolia (Plant) Rel Props:Source_db:npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Mentha Spicata (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 25. Outgoing r'ship FOUND_IN to/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 26. Outgoing r'ship FOUND_IN to/from Ribes Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 27. Outgoing r'ship FOUND_IN to/from Schizonepeta Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 28. Outgoing r'ship FOUND_IN to/from Schizonepeta Tenuisfolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 29. Outgoing r'ship FOUND_IN to/from Senna Alexandrina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 30. Outgoing r'ship FOUND_IN to/from Thymus Quinquecostatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 31. Outgoing r'ship FOUND_IN to/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 32. Outgoing r'ship FOUND_IN to/from Vaccinium Corymbosum (Plant) Rel Props:Source_db:fooddb_chem_all
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