Secondary metabolite: 10-Hydroxydeca-trans-2,trans-8-dien-4,6-diinsaeuremethylester Summary Molecular formula: C11H10O3
SMILES: OC/C=C/C#CC#C/C=C/C(=O)OC InChI: InChI=1S/C11H10O3/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h6-9,12H,10H2,1H3/b8-6+,9-7+ InChIKey: KDEVFRDBFLWTKI-CDJQDVQCSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Fatty Acyls
Sub class: Fatty alcohols
Synonymous chemical names: 10-hydroxydeca-trans-2,trans-8-dien-4,6-diinsaeuremethylester
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 190.2 Log P RDKit 0.27 Topological polar surface area (Å2 ) RDKit 46.53 Number of hydrogen bond acceptors RDKit 3 Number of hydrogen bond donors RDKit 1 Number of carbon atoms RDKit 11 Number of heavy atoms RDKit 14 Number of heteroatoms RDKit 3 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 4 Number of sp2 hybridized carbon atoms RDKit 5 Number of sp3 hybridized carbon atoms RDKit 2 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.18 Shape complexity RDKit 0.29 Number of rotatable bonds SwissADME 3 Number of aliphatic carbocycles RDKit 0 Number of aliphatic heterocycles RDKit 0 Number of aliphatic rings RDKit 0 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 0 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 0
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