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Chemical Molecules
Molecule Details
| Molecule ID | MOL18 | ||
| Compound Name | Thunbergol | ||
| ⤓Download 2D Structure File | ⤓Download 3D Structure File | View Structure Image |
Structure Image
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Primary Details
| Compound Name | Thunbergol |
| Synonym Name | YAPXSYXFLHDPCK-MAUDFNNOSA-N, Q67880110, 4-Isopropyl-1,7,11-trimethyl-2,7,11-cyclotetradecatrien-1-ol, 4-Isopropyl-1,7,11-trimethyl-2,7,11-cyclotetradecatrien-1-ol # |
| CAS ID | Nil |
| IUPAC Name | (2E,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol |
| Molecular Formula | |
| Chemical Safety | Nil |
| External Database ID |
5363523 |
| Inchi | InChI=1S/C20H34O/c1-16(2)19-12-11-18(4)9-6-8-17(3)10-7-14-20(5,21)15-13-19/h9-10,13,15-16,19,21H,6-8,11-12,14H2,1-5H3/b15-13+,17-10+,18-9+ |
| INCHI Key | YAPXSYXFLHDPCK-MAUDFNNOSA-N |
| Canonical SMILES | CC1=CCCC(C=CC(CCC(=CCC1)C)C(C)C)(C)O |
| Molecule Type | Natural |
| Group | Phytochemicals |
| Sub-Group 1 | Terpenoids (Isoprenoids) |
| Sub-Group 2 | Diterpenes |
| Sub-Group 3 | - |
| Sub-Group 4 | - |
| Sub-Group 5 | - |
| Description |
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Chemical & Physical Properties
| Molecular Weight | 290.5 g/mol |
| LogP (Octanol-Water) | 6.831 |
| Hydrogen Donor Count | 1 |
| Bond Acceptor Count | 1 |
| Rotable Bond Count | 1 |
| Topological Surface Area | 20.2 Ų |
| Heavy Atom Count | 21 |
| 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 | |
| Physical Description |
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Spectra Information
Biological Activities
| Activity Name | Nil |
| Molecule Target | Nil |
| Comment |
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| References |
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