58917-26-3
CNP0250398.1 · C8H16O · View on COCONUT ↗
Identifiers
| Name | 58917-26-3 |
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| IUPAC Name | (2~{S})-6-methylhept-5-en-2-ol |
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| COCONUT ID | CNP0250398.1 |
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| InChIKey | OHEFFKYYKJVVOX-QMMMGPOBSA-N |
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| InChI | InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3/t8-/m0/s1 |
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| SMILES | CC(C)=CCC[C@H](C)O |
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Properties
| Molecular Formula | C8H16O |
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| Molecular Weight | 128.22 |
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| Exact Mass | 128.12012 |
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| Log P (ALogP) | 2.11 |
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| TPSA | 20.23 |
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| H-Bond Donors / Acceptors | 1 / 1 |
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| Rotatable Bonds | 3 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.58 |
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| NP-likeness | 2.54 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Monoterpenoids |
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| NP Class | Acyclic monoterpenoids |
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| Chemical Superclass | Lipids and lipid-like molecules |
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| Chemical Class | Fatty Acyls |
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| Chemical Subclass | Fatty alcohols |
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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.
