Secondary metabolite: Sterpurol A Summary Molecular formula: C15H24O2
SMILES: OC[C@]1(C)C[C@H]2C(=C(C)[C@]3([C@](C2)(C)CC3)O)C1 InChI: InChI=1S/C15H24O2/c1-10-12-8-13(2,9-16)6-11(12)7-14(3)4-5-15(10,14)17/h11,16-17H,4-9H2,1-3H3/t11-,13-,14-,15-/m1/s1 InChIKey: SZKPCSUWTGDNTP-NMFUWQPSSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Sesquiterpenoids
Synonymous chemical names: sterpurol a
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 236.35 Log P RDKit 2.65 Topological polar surface area (Å2 ) RDKit 40.46 Number of hydrogen bond acceptors RDKit 2 Number of hydrogen bond donors RDKit 2 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 2 Number of sp3 hybridized carbon atoms RDKit 13 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.87 Shape complexity RDKit 0.87 Number of rotatable bonds SwissADME 1 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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