7-Epi-paradisiol
CNP0248491.8 · C15H26O · View on COCONUT ↗
Identifiers
| Name | 7-Epi-paradisiol |
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| IUPAC Name | (1~{R},4~{a}~{S},7~{S},8~{a}~{S})-7-isopropenyl-1,4~{a}-dimethyl-decalin-1-ol |
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| COCONUT ID | CNP0248491.8 |
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| InChIKey | DPQYOKVMVCQHMY-ZQDZILKHSA-N |
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| InChI | InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h12-13,16H,1,5-10H2,2-4H3/t12-,13-,14-,15+/m0/s1 |
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| SMILES | C=C(C)[C@H]1CC[C@]2(C)CCC[C@@](C)(O)[C@H]2C1 |
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Properties
| Molecular Formula | C15H26O |
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| Molecular Weight | 222.37 |
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| Exact Mass | 222.19837 |
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| Log P (ALogP) | 3.92 |
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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 | 0.67 |
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| NP-likeness | 2.99 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Sesquiterpenoids |
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| NP Class | Eudesmane 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 | Sesquiterpenoids |
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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.
