Secondary metabolite: Folerogenin Summary Molecular formula: C16H14O6
SMILES: COc1cc2OC(c3ccc(cc3)O)C(C(=O)c2c(c1)O)O InChI: InChI=1S/C16H14O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,15-18,20H,1H3 InChIKey: LZLGHWHSUZVUFZ-UHFFFAOYSA-N
Chemical classification Kingdom: Organic compounds
Super class: Phenylpropanoids and polyketides Class: Flavonoids
Sub class: O-methylated flavonoids
Synonymous chemical names: folerogenin
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 302.28 Log P RDKit 1.78 Topological polar surface area (Å2 ) RDKit 96.22 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 13 Number of sp3 hybridized carbon atoms RDKit 3 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.19 Shape complexity RDKit 0.19 Number of rotatable bonds SwissADME 2 Number of aliphatic carbocycles RDKit 0 Number of aliphatic heterocycles RDKit 1 Number of aliphatic rings RDKit 1 Number of aromatic carbocycles RDKit 2 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 2 Total number of rings RDKit 3 Number of saturated carbocycles RDKit 0 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 0 Number of Smallest Set of Smallest Rings (SSSR) RDKit 3
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