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(-)-Epicedrol
MOL29| Molecule ID | MOL29 |
| Compound Name | (-)-Epicedrol |
| Synonyms | epi-Cedrol, 8-epicedrol, and Cedran-8-ol |
| CAS ID | 19903-73-2 |
| IUPAC Name | (1S,2R,5S,7R,8S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol |
| Molecular Formula | C15H26O |
| Molecular Weight | 222.37 g/mol g/mol |
| Molecule Type | Natural |
| Group | Phytochemicals |
3D Structure (JSmol)
JSmol
Chemical and Physical Properties
| Molecular Weight | 222.37 g/mol g/mol |
| LogP (Octanol-Water) | 4.031 |
| Hydrogen Donor Count | 1 |
| Hydrogen Acceptor Count | 1 |
| Rotatable Bond Count | - |
| Topological Surface Area | 20.2 Ų Ų |
| Heavy Atom Count | 16 |
| Melting Point | Nil |
| Boiling Point | Nil |
| Water Solubility | Nil |
| Henry's Law Constant | Nil |
| pKa Dissociation Constant | Nil |
| Vapour Pressure | Nil |
| Molecule Density | Nil |
| Molecular Stability | Nil |
| Kovats Retention Index | Semi-standard non-polar: 1669 |
| Physical Description | <p> </p> |
Chemical Identifiers
| InChI | InChI=1S/C15H26O/c1-10-5-6-11-13(2,3... |
| InChI Key | SVURIXNDRWRAFU-MIBAYGRRSA-N |
| Canonical SMILES | CC1CCC2C13CCC(C(C3)C2(C)C)(C)O |
| Molecular Type | Natural |
| Sub-group 1 | Terpenoids (Isoprenoids) |
| Sub-group 2 | sesquiterpenoid |
| Sub-group 3 | - |
| Sub-group 4 | - |
| Sub-group 5 | - |
Spectral Information
| Spectra Type | MS Spectra |
| Spectra Name | HR-MS |
| Spectra Test | Spectrum |
| Spectra Reference | NA |
Biological Activities
| Activity Name | anti-inflammatory |
| Molecule Target | - |
| Comment | <p> </p> |
| References | <ol><li>Xiong, G., Wu, Z., Yi, J., Fu, L., Yang, Z., Hsieh, C., ... & Cao, D. (2021). ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties. Nucleic acids research, 49(W1), W5-W14.</li><li>Kim, S., Chen, J., Cheng, T., Gindulyte, A., He, J., He, S., ... & Bolton, E. E. (2019). PubChem 2019 update: improved access to chemical data. Nucleic acids research, 47(D1), D1102-D1109.</li><li>Aati, H., El-Gamal, A., & Kayser, O. (2019). Chemical composition and biological activity of the essential oil from the root of Jatropha pelargoniifolia Courb. native to Saudi Arabia. Saudi pharmaceutical journal, 27(1), 88-95.</li></ol> |
Plant Source
| Plant Name | No specific plant recorded |
| Family | - |