Chemical Molecules
Molecule Details
| Molecule ID | MOL99 | ||
| Compound Name | trans-Piperitol | ||
| ⤓Download 2D Structure File | ⤓Download 3D Structure File | View Structure Image |
Structure Image
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Primary Details
| Compound Name | trans-Piperitol |
| Synonym Name | (+)-trans-Piperitenol, (3R,4R)-Piperitol, p-Menth-1-en-3-ol, trans-, 16721-39-4 |
| CAS ID | 16721-39-4 |
| IUPAC Name | (1R,6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol |
| Molecular Formula | C10H18O |
| Chemical Safety | |
| External Database ID |
85568 |
| Inchi | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9-11H,4-5H2,1-3H3/t9-,10+/m1/s1 |
| INCHI Key | HPOHAUWWDDPHRS-ZJUUUORDSA-N |
| Canonical SMILES | CC1=CC(C(CC1)C(C)C)O |
| Molecule Type | Natural |
| Group | Phytochemicals |
| Sub-Group 1 | Terpenoids (Isoprenoids) |
| Sub-Group 2 | Monoterpenes |
| Sub-Group 3 | - |
| Sub-Group 4 | - |
| Sub-Group 5 | - |
| Description |
Data are available for trans-Piperitol, a naturally occurring substance discovered in Aster scaber, Cymbopogon martinii, and other organisms. |
Chemical & Physical Properties
| Molecular Weight | 154.25Â g/mol |
| LogP (Octanol-Water) | 2.1 |
| Hydrogen Donor Count | 1 |
| Bond Acceptor Count | 1 |
| Rotable Bond Count | 1 |
| Topological Surface Area | 20.2 Ų |
| Heavy Atom Count | 11 |
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| Physical Description |
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Spectra Information
Biological Activities
| Activity Name | antibacterial |
| Molecule Target | |
| Comment |
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| References |
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. 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. 3. Khruengsai, S., Sripahco, T., Rujanapun, N., Charoensup, R., & Pripdeevech, P. (2021). Chemical composition and biological activity of Peucedanum dhana A. Ham essential oil. Scientific reports, 11(1), 19079. https://doi.org/10.1038/s41598-021-98717-y |