.beta.-Fenchol
CNP0140485.2 · C10H18O · View on COCONUT ↗
Identifiers
| Name | .beta.-Fenchol |
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| IUPAC Name | (2~{R},4~{S})-1,3,3-trimethylnorbornan-2-ol |
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| COCONUT ID | CNP0140485.2 |
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| InChIKey | IAIHUHQCLTYTSF-JIBHNJPVSA-N |
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| InChI | InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3/t7-,8-,10?/m0/s1 |
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| SMILES | CC12CC[C@@H](C1)C(C)(C)[C@@H]2O |
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Properties
| Molecular Formula | C10H18O |
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| Molecular Weight | 154.25 |
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| Exact Mass | 154.13577 |
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| Log P (ALogP) | 2.19 |
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| TPSA | 20.23 |
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| H-Bond Donors / Acceptors | 1 / 1 |
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| Rotatable Bonds | 0 |
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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 | 2.68 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Monoterpenoids |
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| NP Class | Fenchane 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.
