Secondary metabolite: Rulepidadiol Summary Molecular formula: C15H22O3
SMILES: O=C1C[C@@H](C)[C@]2(C(=C1)[C@@H](O)[C@H]([C@@H]1[C@H]2C1(C)C)O)C InChI: InChI=1S/C15H22O3/c1-7-5-8(16)6-9-11(17)12(18)10-13(14(10,2)3)15(7,9)4/h6-7,10-13,17-18H,5H2,1-4H3/t7-,10-,11-,12+,13+,15+/m1/s1 InChIKey: GQUVWWKDAFPDRH-TZJKVICWSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Sesquiterpenoids
Synonymous chemical names: rulepidadiol
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 250.34 Log P RDKit 1.54 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 6 Stereochemical complexity RDKit 0.4 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 0 Number of aliphatic carbocycles RDKit 3 Number of aliphatic heterocycles RDKit 0 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 2 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 2 Number of Smallest Set of Smallest Rings (SSSR) RDKit 3
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