Secondary metabolite: Rulepidanol Summary Molecular formula: C15H24O
SMILES: C[C@H]1CCCC2=CC=C[C@@H]([C@]12C)C(O)(C)C InChI: InChI=1S/C15H24O/c1-11-7-5-8-12-9-6-10-13(14(2,3)16)15(11,12)4/h6,9-11,13,16H,5,7-8H2,1-4H3/t11-,13+,15+/m0/s1 InChIKey: NAMGLFWPKVHQKV-NJZAAPMLSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Sesquiterpenoids
Synonymous chemical names: rulepidanol
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 220.36 Log P RDKit 3.7 Topological polar surface area (Å2 ) RDKit 20.23 Number of hydrogen bond acceptors RDKit 1 Number of hydrogen bond donors RDKit 1 Number of carbon atoms RDKit 15 Number of heavy atoms RDKit 16 Number of heteroatoms RDKit 1 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 3 Stereochemical complexity RDKit 0.2 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 4 Number of sp3 hybridized carbon atoms RDKit 11 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.73 Shape complexity RDKit 0.73 Number of rotatable bonds SwissADME 1 Number of aliphatic carbocycles RDKit 2 Number of aliphatic heterocycles RDKit 0 Number of aliphatic rings RDKit 2 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 2 Number of saturated carbocycles RDKit 1 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 1 Number of Smallest Set of Smallest Rings (SSSR) RDKit 2
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