trans-1(7),8-p-Menthadien-2-ol
CNP0254042.1 · C10H16O · View on COCONUT ↗
Identifiers
| Name | trans-1(7),8-p-Menthadien-2-ol |
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| IUPAC Name | cis-(1~{S},5~{R})-5-isopropenyl-2-methylene-cyclohexanol |
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| COCONUT ID | CNP0254042.1 |
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| CAS | 21391-84-4 |
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| InChIKey | PNVTXOFNJFHXOK-ZJUUUORDSA-N |
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| InChI | InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h9-11H,1,3-6H2,2H3/t9-,10+/m1/s1 |
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| SMILES | C=C(C)[C@@H]1CCC(=C)[C@@H](O)C1 |
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Properties
| Molecular Formula | C10H16O |
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| Molecular Weight | 152.24 |
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| Exact Mass | 152.12012 |
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| Log P (ALogP) | 2.28 |
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| TPSA | 20.23 |
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| H-Bond Donors / Acceptors | 1 / 1 |
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| Rotatable Bonds | 1 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.57 |
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| NP-likeness | 3.08 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Sesquiterpenoids |
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| NP Class | Germacrane sesquiterpenoids |
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| Chemical Superclass | Lipids and lipid-like molecules |
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| Chemical Class | Prenol lipids |
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| Chemical Subclass | Monoterpenoids |
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Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
