(-)-Mintsulfide
CNP0125966.1 · C15H24S · View on COCONUT ↗
Identifiers
| Name | (-)-Mintsulfide |
|---|
| IUPAC Name | (1~{R},2~{R},5~{S},6~{S},7~{R})-5-isopropyl-2-methyl-8-methylene-11-thiatricyclo[5.3.1.0^{2,6}]undecane |
|---|
| COCONUT ID | CNP0125966.1 |
|---|
| CAS | 72445-42-2 |
|---|
| InChIKey | HVLGGQYBXOJMLO-QRTUWBSPSA-N |
|---|
| InChI | InChI=1S/C15H24S/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(16-12)13(11)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13+,14-,15-/m0/s1 |
|---|
| SMILES | C=C1CC[C@H]2S[C@@H]1[C@H]1[C@H](C(C)C)CC[C@]12C |
|---|
Properties
| Molecular Formula | C15H24S |
|---|
| Molecular Weight | 236.42 |
|---|
| Exact Mass | 236.15987 |
|---|
| Log P (ALogP) | 4.51 |
|---|
| TPSA | 0.00 |
|---|
| H-Bond Donors / Acceptors | 0 / 1 |
|---|
| Rotatable Bonds | 1 |
|---|
| Lipinski's Rule of 5 Violations | 0 |
|---|
| QED Drug-likeness | 0.60 |
|---|
| NP-likeness | 1.94 |
|---|
Classification
| NP Pathway | Terpenoids |
|---|
| NP Superclass | Sesquiterpenoids |
|---|
| NP Class | Isodaucane 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.
