Secondary metabolite: Caputmedusin G Summary Molecular formula: C19H23NO7
SMILES: C/C(=CCc1c(O)cc2c(c1O)CN(C2=O)CCCC(=O)O)/CCC(=O)O InChI: InChI=1S/C19H23NO7/c1-11(5-7-17(24)25)4-6-12-15(21)9-13-14(18(12)26)10-20(19(13)27)8-2-3-16(22)23/h4,9,21,26H,2-3,5-8,10H2,1H3,(H,22,23)(H,24,25)/b11-4+ InChIKey: CSRGUGCOIZRHGK-NYYWCZLTSA-N
Chemical classification Kingdom: Organic compounds
Super class: Organoheterocyclic compounds Class: Isoindoles and derivatives
Sub class: Isoindolines
Synonymous chemical names: caputmedusin g
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 377.39 Log P RDKit 2.27 Topological polar surface area (Å2 ) RDKit 135.37 Number of hydrogen bond acceptors RDKit 5 Number of hydrogen bond donors RDKit 4 Number of carbon atoms RDKit 19 Number of heavy atoms RDKit 27 Number of heteroatoms RDKit 8 Number of nitrogen atoms RDKit 1 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 0 Stereochemical complexity RDKit 0 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 11 Number of sp3 hybridized carbon atoms RDKit 8 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.42 Shape complexity RDKit 0.42 Number of rotatable bonds SwissADME 9 Number of aliphatic carbocycles RDKit 0 Number of aliphatic heterocycles RDKit 1 Number of aliphatic rings RDKit 1 Number of aromatic carbocycles RDKit 1 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 1 Total number of rings RDKit 2 Number of saturated carbocycles RDKit 0 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 0 Number of Smallest Set of Smallest Rings (SSSR) RDKit 2
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