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COCONUT Compound
Silphiperfol-5-en-3-ol A
CNP0240751.1 · C15H24O · View on COCONUT ↗
2D Structure
Identifiers
| Name | Silphiperfol-5-en-3-ol A |
|---|---|
| IUPAC Name | (5~{S},6~{R},8~{S},9~{R})-2,3,5,9-tetramethyltricyclo[6.3.0.0^{1,5}]undec-3-en-6-ol |
| COCONUT ID | CNP0240751.1 |
| InChIKey | KACKPLUHPMMFBK-SXSQOFDESA-N |
| InChI | InChI=1S/C15H24O/c1-9-5-6-15-11(3)10(2)8-14(15,4)13(16)7-12(9)15/h8-9,11-13,16H,5-7H2,1-4H3/t9-,11?,12+,13-,14-,15?/m1/s1 |
| SMILES | CC1=C[C@]2(C)[C@H](O)C[C@H]3[C@H](C)CCC32C1C |
Properties
| Molecular Formula | C15H24O |
|---|---|
| Molecular Weight | 220.36 |
| Exact Mass | 220.18272 |
| Log P (ALogP) | 3.39 |
| TPSA | 20.23 |
| H-Bond Donors / Acceptors | 1 / 1 |
| Rotatable Bonds | 0 |
| Lipinski's Rule of 5 Violations | 0 |
| QED Drug-likeness | 0.62 |
| NP-likeness | 2.80 |
Classification
| NP Pathway | Terpenoids |
|---|---|
| NP Superclass | Sesquiterpenoids |
| NP Class | Silphiperfolane sesquiterpenoids |
| Chemical Superclass | Lipids and lipid-like molecules |
| Chemical Class | Prenol lipids |
| Chemical Subclass | Sesquiterpenoids |
Reported in GR-MAPs Plants
| Daucus carota | as “Daucus carota” in COCONUT |
|---|
References (1)
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.