Secondary metabolite: Enokipodin E Summary Molecular formula: C15H22O4
SMILES: O[C@H]1C[C@](C)(O)C(=O)C=C1[C@@]1(C)CCC(=O)C1(C)C InChI: InChI=1S/C15H22O4/c1-13(2)11(17)5-6-14(13,3)9-7-12(18)15(4,19)8-10(9)16/h7,10,16,19H,5-6,8H2,1-4H3/t10-,14+,15-/m0/s1 InChIKey: DRAQVCXXTQYINA-VQISRLSMSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Sesquiterpenoids
Synonymous chemical names: enokipodin e
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 266.34 Log P RDKit 1.39 Topological polar surface area (Å2 ) RDKit 74.6 Number of hydrogen bond acceptors RDKit 4 Number of hydrogen bond donors RDKit 2 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 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
TOP 
