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COCONUT Compound
(1R,4E,8Z)-6,6,9-trimethyl-2-methylidenecycloundeca-4,8-dien-1-ol
CNP0289326.3 · C15H24O · View on COCONUT ↗
2D Structure
Identifiers
| Name | (1R,4E,8Z)-6,6,9-trimethyl-2-methylidenecycloundeca-4,8-dien-1-ol |
|---|---|
| IUPAC Name | (1~{R},4~{E},8~{Z})-6,6,9-trimethyl-2-methylene-cycloundeca-4,8-dien-1-ol |
| COCONUT ID | CNP0289326.3 |
| InChIKey | ZHCPVYWHSOILQL-JNMZKOABSA-N |
| InChI | InChI=1S/C15H24O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h5,9-10,14,16H,2,6-8,11H2,1,3-4H3/b10-5+,12-9-/t14-/m1/s1 |
| SMILES | C=C1C/C=C/C(C)(C)C/C=C(/C)CC[C@H]1O |
Properties
| Molecular Formula | C15H24O |
|---|---|
| Molecular Weight | 220.36 |
| Exact Mass | 220.18272 |
| Log P (ALogP) | 4.01 |
| TPSA | 20.23 |
| H-Bond Donors / Acceptors | 1 / 1 |
| Rotatable Bonds | 0 |
| Lipinski's Rule of 5 Violations | 0 |
| QED Drug-likeness | 0.61 |
| NP-likeness | 3.56 |
Classification
| NP Pathway | Terpenoids |
|---|---|
| NP Superclass | Sesquiterpenoids |
| NP Class | Humulane sesquiterpenoids |
| Chemical Superclass | Lipids and lipid-like molecules |
| Chemical Class | Prenol lipids |
| Chemical Subclass | Sesquiterpenoids |
Reported in GR-MAPs Plants
| Zingiber zerumbet | as “Zingiber Zerumbet” in COCONUT |
|---|
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.