cis-5-Hydroxy-p-menth-1(6)-en-2-one
CNP0357367.4 · C10H16O2 · View on COCONUT ↗
Identifiers
| Name | cis-5-Hydroxy-p-menth-1(6)-en-2-one |
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| IUPAC Name | (4~{S},5~{R})-4-hydroxy-5-isopropyl-2-methyl-cyclohex-2-en-1-one |
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| COCONUT ID | CNP0357367.4 |
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| InChIKey | ZFUJCNJIGDBFEP-PSASIEDQSA-N |
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| InChI | InChI=1S/C10H16O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,6,8,10,12H,5H2,1-3H3/t8-,10-/m1/s1 |
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| SMILES | CC1=C[C@@H](O)[C@@H](C(C)C)CC1=O |
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Properties
| Molecular Formula | C10H16O2 |
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| Molecular Weight | 168.24 |
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| Exact Mass | 168.11503 |
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| Log P (ALogP) | 1.54 |
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| TPSA | 37.30 |
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| H-Bond Donors / Acceptors | 1 / 2 |
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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 | 0.64 |
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| NP-likeness | 2.51 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Monoterpenoids |
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| NP Class | Menthane monoterpenoids |
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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.
