Dehydroxy-isocalamendiol
CNP0577465.0 · C15H24O · View on COCONUT ↗
Identifiers
| Name | Dehydroxy-isocalamendiol |
|---|
| IUPAC Name | 5-isopropyl-8-methyl-3-methylene-1,2,4,7,8,8~{a}-hexahydronaphthalen-4~{a}-ol |
|---|
| COCONUT ID | CNP0577465.0 |
|---|
| InChIKey | LZJKACCRRXUWAR-UHFFFAOYSA-N |
|---|
| InChI | InChI=1S/C15H24O/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13,14)16/h8,10,12,14,16H,3,5-7,9H2,1-2,4H3 |
|---|
| SMILES | C=C1CCC2C(C)CC=C(C(C)C)C2(O)C1 |
|---|
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 | 1 |
|---|
| Lipinski's Rule of 5 Violations | 0 |
|---|
| QED Drug-likeness | 0.67 |
|---|
| NP-likeness | 2.70 |
|---|
Classification
| NP Pathway | Terpenoids |
|---|
| NP Superclass | Sesquiterpenoids |
|---|
| NP Class | Cadinane sesquiterpenoids |
|---|
| Chemical Superclass | Lipids and lipid-like molecules |
|---|
| Chemical Class | Prenol lipids |
|---|
| Chemical Subclass | Sesquiterpenoids |
|---|
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.
