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Chemical Molecules
Molecule Details
| Molecule ID | MOL28 | ||
| Compound Name | Neoclovene | ||
| ⤓Download 2D Structure File | ⤓Download 3D Structure File | View Structure Image |
Structure Image
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Primary Details
| Compound Name | Neoclovene |
| Synonym Name | (-)-alpha-Neoclovene |
| CAS ID | |
| IUPAC Name | (1R,6S)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene |
| Molecular Formula | C15H24 |
| Chemical Safety | Nil |
| External Database ID |
16218441 |
| Inchi | InChI=1S/C15H24/c1-11-6-5-8-14(4)12-7-9-15(11,14)10-13(12,2)3/h6,12H,5,7-10H2,1-4H3/t12?,14-,15+/m0/s1 |
| INCHI Key | ZCJQJJWNFDNQGZ-JQXSQYPDSA-N |
| Canonical SMILES | CC1=CCCC2(C13CCC2C(C3)(C)C)C |
| Molecule Type | Natural |
| Group | Phytochemicals |
| Sub-Group 1 | Terpenoids (Isoprenoids) |
| Sub-Group 2 | sesquiterpenoid |
| Sub-Group 3 | - |
| Sub-Group 4 | - |
| Sub-Group 5 | - |
| Description |
Alpha-neoclovene, classified as a sesquiterpene, is a carbotricyclic and polycyclic olefin compound. It functions as both a volatile oil component and a plant metabolite. |
Chemical & Physical Properties
| Molecular Weight | 204.35 g/mol |
| LogP (Octanol-Water) | 4.992 |
| Hydrogen Donor Count | 0 |
| Bond Acceptor Count | 0 |
| Rotable Bond Count | 0 |
| Topological Surface Area | 0 |
| Heavy Atom Count | 15 |
| Melting Point | Nil |
| Boiling Point | Nil |
| Water Solubility | Nil |
| Henry's Law Constant | Nil |
| pKa Dissociation Constant | Nil |
| Vapour Pressure | Nil |
| Molecule Density | Nil |
| Molecule Stability | Nil |
| Kovats retention Index | Nil |
| Physical Description |
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Spectra Information
Biological Activities
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