Secondary metabolite: (+)-Chizhine C Summary Molecular formula: C16H18O6
SMILES: CC(=C)[C@H]1CC[C@@](C(=O)O1)(O)CC(=O)c1cc(O)ccc1O InChI: InChI=1S/C16H18O6/c1-9(2)14-5-6-16(21,15(20)22-14)8-13(19)11-7-10(17)3-4-12(11)18/h3-4,7,14,17-18,21H,1,5-6,8H2,2H3/t14-,16-/m1/s1 InChIKey: QXXQSVUNSUCVFA-GDBMZVCRSA-N
Chemical classification Kingdom: Organic compounds
Super class: Organic oxygen compounds Class: Organooxygen compounds
Sub class: Carbonyl compounds
Synonymous chemical names: (+)-chizhine c
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 306.31 Log P RDKit 1.68 Topological polar surface area (Å2 ) RDKit 104.06 Number of hydrogen bond acceptors RDKit 6 Number of hydrogen bond donors RDKit 3 Number of carbon atoms RDKit 16 Number of heavy atoms RDKit 22 Number of heteroatoms RDKit 6 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 2 Stereochemical complexity RDKit 0.12 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 10 Number of sp3 hybridized carbon atoms RDKit 6 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.38 Shape complexity RDKit 0.38 Number of rotatable bonds SwissADME 4 Number of aliphatic carbocycles RDKit 0 Number of aliphatic heterocycles RDKit 1 Number of aliphatic rings RDKit 1 Number of aromatic carbocycles RDKit 1 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 1 Total number of rings RDKit 2 Number of saturated carbocycles RDKit 0 Number of saturated heterocycles RDKit 1 Number of saturated rings RDKit 1 Number of Smallest Set of Smallest Rings (SSSR) RDKit 2
TOP 
