(-)-Carvomenthone
PubChem CID: 6432474
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| Compound Synonyms | (-)-Carvomenthone, L-Carvomenthone, Carvomenthone, (-)-, 13163-73-0, trans-Dihydrocarvone, (1S,4S)-p-Menthan-2-one, (-)-, p-Menthan-2-one, (1S,4S)-(-)-, Tetrahydrocarvone, Cyclohexanone, 2-methyl-5-(1-methylethyl)-, (2S,5S)-, Cyclohexanone, 2-methyl-5-(1-methylethyl)-, (2S-trans)-, (2S,5S)-5-Isopropyl-2-methylcyclohexanone, 9089X37X82, (2S,5S)-2-methyl-5-(propan-2-yl)cyclohexan-1-one, trans-5-Isopropyl-2-methylcyclohexanone, UNII-9089X37X82, trans-Cyclohexanone, 2-methyl-5-(1-methylethyl)-, CARVOMENTHONE, L-, (2S,5S)-2-methyl-5-propan-2-ylcyclohexan-1-one, (1s)-trans-p-menthan-2-one, p-Menthan-2-one, (4R)-, CHEBI:167338, DTXSID601244235, EN300-1196641, (2S,5S)-2-Methyl-5-(1-methylethyl)cyclohexanone, Q27271305 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCC1 |
| Np Classifier Class | Menthane monoterpenoids |
| Deep Smiles | CC[C@H]CC[C@@H]C=O)C6))C)))))C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Description | Isolated from oils of Tanacetum vulgare (tansy). (-)-Carvomenthone is found in cornmint and herbs and spices. |
| Scaffold Graph Node Level | OC1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 149.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S,5S)-2-methyl-5-propan-2-ylcyclohexan-1-one |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.7 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O |
| Scaffold Graph Node Bond Level | O=C1CCCCC1 |
| Inchi Key | GCRTVIUGJCJVDD-IUCAKERBSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| State | Liquid |
| Synonyms | (-)-Carvomenthone, carvone, trans-dihydro, trans-dihydrocarvone, trans-dihydrocarvone* |
| Esol Class | Soluble |
| Functional Groups | CC(C)=O |
| Compound Name | (-)-Carvomenthone |
| Kingdom | Organic compounds |
| 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 |
| Inchi | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1 |
| Smiles | C[C@H]1CC[C@@H](CC1=O)C(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Menthane monoterpenoids |
| Np Classifier Superclass | Monoterpenoids |
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