Secondary metabolite: Mitissimol E Summary Molecular formula: C15H22O5
SMILES: OC1CC2(C)OC2C(O)C(C=CC(=O)C2(C1O2)C)(C)C InChI: InChI=1S/C15H22O5/c1-13(2)6-5-9(17)15(4)11(20-15)8(16)7-14(3)12(19-14)10(13)18/h5-6,8,10-12,16,18H,7H2,1-4H3 InChIKey: JDLWCESRBYFMCS-UHFFFAOYSA-N
Chemical classification Kingdom: Organic compounds
Super class: Organic oxygen compounds Class: Organooxygen compounds
Sub class: Alcohols and polyols
Synonymous chemical names: mitissimol e
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 282.34 Log P RDKit 0.58 Topological polar surface area (Å2 ) RDKit 82.59 Number of hydrogen bond acceptors RDKit 5 Number of hydrogen bond donors RDKit 2 Number of carbon atoms RDKit 15 Number of heavy atoms RDKit 20 Number of heteroatoms RDKit 5 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 6 Stereochemical complexity RDKit 0.4 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 3 Number of sp3 hybridized carbon atoms RDKit 12 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.8 Shape complexity RDKit 0.8 Number of rotatable bonds SwissADME 0 Number of aliphatic carbocycles RDKit 1 Number of aliphatic heterocycles RDKit 2 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 0 Number of saturated heterocycles RDKit 2 Number of saturated rings RDKit 2 Number of Smallest Set of Smallest Rings (SSSR) RDKit 3
TOP 
