Secondary metabolite: Enokipodin I Summary Molecular formula: C15H20O4
SMILES: O=C1C[C@](C)(O)C(=O)C=C1[C@]1(C)CCC(=O)C1(C)C InChI: InChI=1S/C15H20O4/c1-13(2)11(17)5-6-14(13,3)9-7-12(18)15(4,19)8-10(9)16/h7,19H,5-6,8H2,1-4H3/t14-,15-/m0/s1 InChIKey: NQMWMLKBLQXTIN-GJZGRUSLSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Sesquiterpenoids
Synonymous chemical names: enokipodin i
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 264.32 Log P RDKit 1.6 Topological polar surface area (Å2 ) RDKit 71.44 Number of hydrogen bond acceptors RDKit 4 Number of hydrogen bond donors RDKit 1 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 2 Stereochemical complexity RDKit 0.13 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 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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