Secondary metabolite: Ganomastenol B Summary Molecular formula: C15H24O3
SMILES: O[C@H]1C[C@H]2[C@H](C=C1C)[C@@H](C(C)C)[C@@H]([C@H](C2=C)O)O InChI: InChI=1S/C15H24O3/c1-7(2)13-11-5-8(3)12(16)6-10(11)9(4)14(17)15(13)18/h5,7,10-18H,4,6H2,1-3H3/t10-,11+,12+,13-,14+,15+/m1/s1 InChIKey: CXHFTASPLLKBBA-GHRCFYLDSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Sesquiterpenoids
Synonymous chemical names: ganomastenol b
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 252.35 Log P RDKit 1.49 Topological polar surface area (Å2 ) RDKit 60.69 Number of hydrogen bond acceptors RDKit 3 Number of hydrogen bond donors RDKit 3 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 6 Stereochemical complexity RDKit 0.4 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 4 Number of sp3 hybridized carbon atoms RDKit 11 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.73 Shape complexity RDKit 0.73 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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