Secondary metabolite: Dictyophorine A Summary Molecular formula: C15H20O2
SMILES: O=C1C=C(C)[C@@]23[C@](C1)(C)CC[C@@H]([C@H]3O2)C(=C)C InChI: InChI=1S/C15H20O2/c1-9(2)12-5-6-14(4)8-11(16)7-10(3)15(14)13(12)17-15/h7,12-13H,1,5-6,8H2,2-4H3/t12-,13-,14-,15-/m1/s1 InChIKey: GIOCZBPNJOEKCR-KBUPBQIOSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Sesquiterpenoids
Synonymous chemical names: dictyophorine a
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 232.32 Log P RDKit 3.04 Topological polar surface area (Å2 ) RDKit 29.6 Number of hydrogen bond acceptors RDKit 2 Number of hydrogen bond donors RDKit 0 Number of carbon atoms RDKit 15 Number of heavy atoms RDKit 17 Number of heteroatoms RDKit 2 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 4 Stereochemical complexity RDKit 0.27 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 1 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 1 Number of saturated heterocycles RDKit 1 Number of saturated rings RDKit 2 Number of Smallest Set of Smallest Rings (SSSR) RDKit 3
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