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Chemical Molecules
Molecule Details
| Molecule ID | MOL92 | ||
| Compound Name | (Z)-p-Menth-2-en-1-ol | ||
| ⤓Download 2D Structure File | ⤓Download 3D Structure File | View Structure Image |
Structure Image
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Primary Details
| Compound Name | (Z)-p-Menth-2-en-1-ol |
| Synonym Name | (Z)-p-Menth-2-en-1-ol, cis-2-Menthenol, cis-p-menth-2-en-1-ol, cis-2-p-Menthen-1-ol, 2-Cyclohexen-1-ol |
| CAS ID | |
| IUPAC Name | (1S,4S)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol |
| Molecular Formula | C10H18O |
| Chemical Safety | |
| External Database ID |
13918681 |
| Inchi | InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,8-9,11H,5,7H2,1-3H3/t9-,10+/m0/s1 |
| INCHI Key | IZXYHAXVIZHGJV-VHSXEESVSA-N |
| Canonical SMILES | CC(C)C1CCC(C=C1)(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 |
Natural products such as Citrus reticulata, Artemisia annua, and other species for which data are available include (Z)-p-Menth-2-en-1-ol. |
Chemical & Physical Properties
| Molecular Weight | 154.25Â g/mol |
| LogP (Octanol-Water) | 2.3 |
| 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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Spectra Information
Biological Activities
| Activity Name | ANTIBACTERIAL ACTIVITY |
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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. |