Secondary metabolite: Scabronine G Summary Molecular formula: C20H26O4
SMILES: O=CC1=CC[C@H]2[C@@](C(=O)C1)(C)CC[C@@]1(C2=C(CC1)C(C)C)C(=O)O InChI: InChI=1S/C20H26O4/c1-12(2)14-6-7-20(18(23)24)9-8-19(3)15(17(14)20)5-4-13(11-21)10-16(19)22/h4,11-12,15H,5-10H2,1-3H3,(H,23,24)/t15-,19-,20+/m1/s1 InChIKey: PDFVQJPCHCWDIY-YSGRDPCXSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Diterpenoids
Synonymous chemical names: scabronine g
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 330.42 Log P RDKit 3.71 Topological polar surface area (Å2 ) RDKit 71.44 Number of hydrogen bond acceptors RDKit 3 Number of hydrogen bond donors RDKit 1 Number of carbon atoms RDKit 20 Number of heavy atoms RDKit 24 Number of heteroatoms RDKit 4 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 3 Stereochemical complexity RDKit 0.15 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 7 Number of sp3 hybridized carbon atoms RDKit 13 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.65 Shape complexity RDKit 0.65 Number of rotatable bonds SwissADME 3 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 1 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 1 Number of Smallest Set of Smallest Rings (SSSR) RDKit 3
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