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COCONUT Compound
2-Penten-1-ol, 5-[(1S,5S,6R)-2,6-dimethylbicyclo[3.1.1]hept-2-en-6-yl]-2-methyl-, (2Z)-
CNP0135331.5 · C15H24O · View on COCONUT ↗
2D Structure
Identifiers
| Name | 2-Penten-1-ol, 5-[(1S,5S,6R)-2,6-dimethylbicyclo[3.1.1]hept-2-en-6-yl]-2-methyl-, (2Z)- |
|---|---|
| IUPAC Name | (~{Z})-5-[(1~{S},5~{S},6~{R})-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]-2-methyl-pent-2-en-1-ol |
| COCONUT ID | CNP0135331.5 |
| InChIKey | JGINTSAQGRHGMG-NLJYZETGSA-N |
| InChI | InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)13-7-6-12(2)14(15)9-13/h5-6,13-14,16H,4,7-10H2,1-3H3/b11-5-/t13-,14-,15+/m0/s1 |
| SMILES | CC1=CC[C@H]2C[C@@H]1[C@]2(C)CC/C=C(/C)CO |
Properties
| Molecular Formula | C15H24O |
|---|---|
| Molecular Weight | 220.36 |
| Exact Mass | 220.18272 |
| Log P (ALogP) | 3.70 |
| TPSA | 20.23 |
| H-Bond Donors / Acceptors | 1 / 1 |
| Rotatable Bonds | 4 |
| Lipinski's Rule of 5 Violations | 0 |
| QED Drug-likeness | 0.72 |
| NP-likeness | 3.68 |
Classification
| NP Pathway | Terpenoids |
|---|---|
| NP Superclass | Sesquiterpenoids |
| NP Class | Bergamotane sesquiterpenoids |
| Chemical Superclass | Lipids and lipid-like molecules |
| Chemical Class | Prenol lipids |
| Chemical Subclass | Sesquiterpenoids |
Reported in GR-MAPs Plants
| Artemisia annua | as “Artemisia annua; Artemisia annua L.cultivar Jwarharti” in COCONUT |
|---|
References (11)
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.