Secondary metabolite: Flammufuranone A Summary Molecular formula: C15H18O5
SMILES: OC(=O)C[C@@]1(C)OC(=CC1=O)[C@@]1(C)C=CC(=O)C1(C)C InChI: InChI=1S/C15H18O5/c1-13(2)9(16)5-6-14(13,3)11-7-10(17)15(4,20-11)8-12(18)19/h5-7H,8H2,1-4H3,(H,18,19)/t14-,15-/m1/s1 InChIKey: BUIWHVJAXLEZHG-HUUCEWRRSA-N
Chemical classification Kingdom: Organic compounds
Super class: Organoheterocyclic compounds Class: Dihydrofurans
Sub class: Furanones
Synonymous chemical names: flammufuranone a
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 278.3 Log P RDKit 1.87 Topological polar surface area (Å2 ) RDKit 80.67 Number of hydrogen bond acceptors RDKit 4 Number of hydrogen bond donors RDKit 1 Number of carbon atoms RDKit 15 Number of heavy atoms RDKit 20 Number of heteroatoms RDKit 5 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 2 Stereochemical complexity RDKit 0.13 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 7 Number of sp3 hybridized carbon atoms RDKit 8 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.53 Shape complexity RDKit 0.53 Number of rotatable bonds SwissADME 3 Number of aliphatic carbocycles RDKit 1 Number of aliphatic heterocycles RDKit 1 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 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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