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Bicyclogermacrene
MOL87| Molecule ID | MOL87 |
| Compound Name | Bicyclogermacrene |
| Synonyms | Bicyclogermacrene, CHEBI:63709, (1S,2E,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene, LMPR0103100001, C20175 |
| CAS ID | 24703-35-3 |
| IUPAC Name | (1S,2E,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene |
| Molecular Formula | C15H24 |
| Molecular Weight | 204.35Â g/mol g/mol |
| Molecule Type | Natural |
| Group | Phytochemicals |
3D Structure (JSmol)
JSmol
Chemical and Physical Properties
| Molecular Weight | 204.35Â g/mol g/mol |
| LogP (Octanol-Water) | 4.1 |
| Hydrogen Donor Count | - |
| Hydrogen Acceptor Count | - |
| Rotatable Bond Count | - |
| Topological Surface Area | - |
| Heavy Atom Count | 15 |
| Melting Point | - |
| Boiling Point | - |
| Water Solubility | - |
| Henry's Law Constant | - |
| pKa Dissociation Constant | - |
| Vapour Pressure | - |
| Molecule Density | - |
| Molecular Stability | - |
| Kovats Retention Index | - |
| Physical Description | <p> </p> |
Chemical Identifiers
| InChI | InChI=1S/C15H24/c1-11-6-5-7-12(2)10-... |
| InChI Key | VPDZRSSKICPUEY-JEPMYXAXSA-N |
| Canonical SMILES | CC1=CCCC(=CC2C(C2(C)C)CC1)C |
| 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 | antimicrobial activity and Antifungal activity |
| Molecule Target | - |
| Comment | <p> </p> |
| References | <p>1. 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. </p><p>2. 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. </p><p>3. Valarezo, E., Flores-Maza, P., Cartuche, L., Ojeda-Riascos, S., & RamÃrez, J. (2021). Phytochemical profile, antimicrobial and antioxidant activities of essential oil extracted from Ecuadorian species <i>Piper ecuadorense</i> sodiro. <i>Natural product research</i>, <i>35</i>(24), 6014–6019. https://doi.org/10.1080/14786419.2020.1813138</p> |
Plant Source
| Plant Name | No specific plant recorded |
| Family | - |