Secondary metabolite: Alpha-humulene Summary Molecular formula: C15H24
SMILES: C/C/1=CCC(C)(C)/C=C/C/C(=C/CC1)/C InChI: InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+ InChIKey: FAMPSKZZVDUYOS-HRGUGZIWSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Sesquiterpenoids
Synonymous chemical names: alpha-humulene
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 204.36 Log P RDKit 5.04 Topological polar surface area (Å2 ) RDKit 0 Number of hydrogen bond acceptors RDKit 0 Number of hydrogen bond donors RDKit 0 Number of carbon atoms RDKit 15 Number of heavy atoms RDKit 15 Number of heteroatoms RDKit 0 Number of nitrogen atoms RDKit 0 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 6 Number of sp3 hybridized carbon atoms RDKit 9 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.6 Shape complexity RDKit 0.6 Number of rotatable bonds SwissADME 0 Number of aliphatic carbocycles RDKit 1 Number of aliphatic heterocycles RDKit 0 Number of aliphatic rings RDKit 1 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 1 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 1
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