(+)-Menthone
PubChem CID: 443159
Connections displayed (default: 10).
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| Compound Synonyms | (+)-Menthone, 3391-87-5, D-menthone, (1S,4R)-p-menthan-3-one, Menthone, (+)-, Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5S)-rel-, (2R,5S)-2-isopropyl-5-methylcyclohexanone, 89-80-5, CHEBI:31, MENTHONE, (+)-(1S,4R)-menthone, (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one, 15F1B5K9A5, Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5S)-, EINECS 222-227-6, (2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-one, (2R,5S)-2-isopropyl-5-methyl-cyclohexanone, DL-Menthone, DTXSID801341700, (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexanone, P-MENTHAN-3-ONE, (1S,4R)-(+)-, (2R,5S)-5-METHYL-2-(1-METHYLETHYL)CYCLOHEXANONE, Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R-trans)-, UNII-15F1B5K9A5, (+)-Menthone, (2R,5S)-5-Methyl-2-(1-methylethyl)cyclohexanone, D-Menthone, (2R-trans)-5-Methyl-2-(1-methylethyl)-cyclohexanone, (1S,4R)-(+)-p-Menthan-3-one, REL-MENTHONE, (1S,4R)-menthone, SCHEMBL21711, CHEMBL2268548, DTXCID0024478, NFLGAXVYCFJBMK-DTWKUNHWSA-N, (+)-Menthone, analytical standard, AKOS017343077, ( inverted exclamation markA)-Menthone, AS-77239, NS00075642, EN300-157786, Q27105203, 222-227-6, LWE |
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| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Description | Found in some essential oils, e.g. those of Barosma pulchellum, Mentha sachalinensis |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 149.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | Q75NA5 |
| Iupac Name | (2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-one |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 2.7 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | NFLGAXVYCFJBMK-DTWKUNHWSA-N |
| Fcsp3 | 0.9 |
| Logs | -2.343 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.65 |
| Synonyms | (+)-(1S,4R)-Menthone, (+)-Menthone, (1S,4R)-p-Menthan-3-one, (2R,5S)-2-Isopropyl-5-methylcyclohexanone, (2R,5S)-5-Methyl-2-(propan-2-yl)cyclohexanone, D-Menthone, (1S,4R)-Menthone, Menthone, (2R,5S)-5-Methyl-2-(1-methylethyl)cyclohexanone |
| Compound Name | (+)-Menthone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Esol | -2.6518686000000002 |
| Inchi | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1 |
| Smiles | C[C@H]1CC[C@@H](C(=O)C1)C(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Menthane monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Actaea Cimicifuga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Actaea Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Actaea Simplex (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Akebia Quinata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Akebia Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Inula Helenium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Leonurus Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Ligusticum Jeholense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Ligusticum Tenuissimum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Saussurea Costus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Schizonepeta Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Schizonepeta Tenuisfolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Scutellaria Barbata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Senna Alexandrina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 23. Outgoing r'ship
FOUND_INto/from Thymus Quinquecostatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 25. Outgoing r'ship
FOUND_INto/from Vitex Negundo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all