Secondary metabolite: Flammuspirone G Summary Molecular formula: C15H24O3
SMILES: CC([C@@H]1C[C@H](O)[C@H]([C@@]2([C@@H]1O)CC(=O)C(=C2)C)C)C InChI: InChI=1S/C15H24O3/c1-8(2)11-5-12(16)10(4)15(14(11)18)6-9(3)13(17)7-15/h6,8,10-12,14,16,18H,5,7H2,1-4H3/t10-,11+,12+,14-,15+/m1/s1 InChIKey: CQHIKNARIFUQLX-NUNXZZDCSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Monoterpenoids
Synonymous chemical names: flammuspirone g
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 252.35 Log P RDKit 1.93 Topological polar surface area (Å2 ) RDKit 57.53 Number of hydrogen bond acceptors RDKit 3 Number of hydrogen bond donors RDKit 2 Number of carbon atoms RDKit 15 Number of heavy atoms RDKit 18 Number of heteroatoms RDKit 3 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 5 Stereochemical complexity RDKit 0.33 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 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
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