×
![]()
Chemical Molecules
Molecule Details
| Molecule ID | MOL7 | ||
| Compound Name | Phyllocladene | ||
| ⤓Download 2D Structure File | ⤓Download 3D Structure File | View Structure Image |
Structure Image
|
Primary Details
| Compound Name | Phyllocladene |
| Synonym Name | 20070-61-5, phyllocladene, (1R,4R,9R,10R,13S)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane, CHEMBL454740 |
| CAS ID | |
| IUPAC Name | (1R,4R,9R,10R,13S)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane |
| Molecular Formula | C20H32 |
| Chemical Safety | |
| External Database ID |
44559813 |
| Inchi | InChI=1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h15-17H,1,5-13H2,2-4H3/t15-,16+,17-,19+,20-/m0/s |
| INCHI Key | ONVABDHFQKWOSV-NDLGOLERSA-N |
| Canonical SMILES | CC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4)C)C |
| Molecule Type | Natural |
| Group | Phytochemicals |
| Sub-Group 1 | Terpenoids (Isoprenoids) |
| Sub-Group 2 | Diterpenes |
| Sub-Group 3 | - |
| Sub-Group 4 | - |
| Sub-Group 5 | - |
| Description |
|
Chemical & Physical Properties
| Molecular Weight | 272.5 g/mol |
| LogP (Octanol-Water) | 6.226 |
| Hydrogen Donor Count | 0 |
| Bond Acceptor Count | 0 |
| Rotable Bond Count | 0 |
| Topological Surface Area | 0 |
| Heavy Atom Count | 20 |
| 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 |
|
Spectra Information
Biological Activities
| Activity Name | |
| Molecule Target | multiple cellular targets |
| Comment |
|
| References |
|