Secondary metabolite: Isoilludin S Summary Molecular formula: C15H20O4
SMILES: OCC1(C)C=C2C(=C(C)C3(C(=O)C2(C)O)CC3)C1O InChI: InChI=1S/C15H20O4/c1-8-10-9(6-13(2,7-16)11(10)17)14(3,19)12(18)15(8)4-5-15/h6,11,16-17,19H,4-5,7H2,1-3H3 InChIKey: ZWMQGXMHSMRYFW-UHFFFAOYSA-N
Chemical classification Kingdom: Organic compounds
Super class: Organic oxygen compounds Class: Organooxygen compounds
Sub class: Carbonyl compounds
Synonymous chemical names: isoilludin s
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 264.32 Log P RDKit 0.72 Topological polar surface area (Å2 ) RDKit 77.76 Number of hydrogen bond acceptors RDKit 4 Number of hydrogen bond donors RDKit 3 Number of carbon atoms RDKit 15 Number of heavy atoms RDKit 19 Number of heteroatoms RDKit 4 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 5 Number of sp3 hybridized carbon atoms RDKit 10 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.67 Shape complexity RDKit 0.67 Number of rotatable bonds SwissADME 1 Number of aliphatic carbocycles RDKit 3 Number of aliphatic heterocycles RDKit 0 Number of aliphatic rings RDKit 3 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 3 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 3
TOP 
