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Chemical Molecules
Molecule Details
| Molecule ID | MOL53 | ||
| Compound Name | β-Ylangene | ||
| ⤓Download 2D Structure File | ⤓Download 3D Structure File | View Structure Image |
Structure Image
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Primary Details
| Compound Name | β-Ylangene |
| Synonym Name | |
| CAS ID | |
| IUPAC Name | 1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane |
| Molecular Formula | C15H24 |
| Chemical Safety | |
| External Database ID |
519779 |
| Inchi | InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3 |
| INCHI Key | UPVZPMJSRSWJHQ-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)C1CCC2(C3C1C2C(=C)CC3)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 |
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Chemical & Physical Properties
| Molecular Weight | 204.35 g/mol |
| LogP (Octanol-Water) | 4.416 |
| 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 | 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 | Standard polar: 1567, 1568, 1576, 1574, 1547, 1589, 1580, 1568, 1589, 1589, 1553, 1589, 1589, 1570, 1589, 1589, 1589, 1573, 1589, 1589, 1572, 1589, 1589, 1589, 1589, 1586, 1576, 1598 |
| Physical Description |
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Spectra Information
Biological Activities
| Activity Name | Antibacterial activity |
| Molecule Target | |
| Comment |
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| References |
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