Nerolidol, (6Z)-(-)-
CNP0241588.4 · C15H26O · View on COCONUT ↗
Identifiers
| Name | Nerolidol, (6Z)-(-)- |
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| IUPAC Name | (3~{R},6~{Z})-3,7,11-trimethyldodeca-1,6,10-trien-3-ol |
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| COCONUT ID | CNP0241588.4 |
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| CAS | 132958-73-7 |
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| InChIKey | FQTLCLSUCSAZDY-SZGZABIGSA-N |
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| InChI | InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11-/t15-/m0/s1 |
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| SMILES | C=C[C@](C)(O)CC/C=C(/C)CCC=C(C)C |
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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) | 4.40 |
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| TPSA | 20.23 |
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| H-Bond Donors / Acceptors | 1 / 1 |
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| Rotatable Bonds | 7 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.63 |
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| NP-likeness | 2.92 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Sesquiterpenoids |
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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 | 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.
