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Chemical Molecules
Molecule Details
| Molecule ID | MOL10 | ||
| Compound Name | δ-cadinine | ||
| ⤓Download 2D Structure File | ⤓Download 3D Structure File | View Structure Image |
Structure Image
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Primary Details
| Compound Name | δ-cadinine |
| Synonym Name | 483-76-1, DELTA-CADINENE, D-Cadinene, (1S,8aR)-1-Isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene |
| CAS ID | 483-76-1 |
| IUPAC Name | (1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene |
| Molecular Formula | " C15H24" |
| Chemical Safety | Irritant, Health Hezard |
| External Database ID |
441005 |
| Inchi | InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1 |
| INCHI Key | FUCYIEXQVQJBKY-ZFWWWQNUSA-N |
| Canonical SMILES | CC1=CC2C(CCC(=C2CC1)C)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 |
(+)-delta-cadinene belongs to the cadinene sesquiterpene family, characterized by double bonds at positions 4-4a and 7-8. Additionally, the isopropyl group at position 1 is cis to the hydrogen at the adjacent bridgehead carbon, resulting in the 1S,8aR-enantiomer. Classified as both a delta-cadinene and a cadinene, it represents the enantiomeric form of (-)-delta-cadinene |
Chemical & Physical Properties
| Molecular Weight | 204.35 g/mol |
| LogP (Octanol-Water) | 5.51 |
| Hydrogen Donor Count | 0 |
| Bond Acceptor Count | 0 |
| Rotable Bond Count | 1 |
| Topological Surface Area | 0 |
| Heavy Atom Count | 15 |
| Melting Point | Nil |
| Boiling Point | 120.00 to 121.00 °C. @ 9.00 mm Hg |
| 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
| Activity Name | antimicrobial |
| Molecule Target | multiple cellular targets |
| Comment |
Nil |
| References |
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