Compound Identification
SMILES
CCOC(=O)C1CCN(CC1)C(=O)\C=C\C1=C(C2=CC3=C(OOCC3)C=C2)C(=C(SC2=C(C(=C(\C=C\C(=O)N3CCC(CC3)C(=O)OCC)C=C2)C2=CC3=C(OOCC3)C=C2)C(F)(F)F)C=C1)C(F)(F)F
InChIKey
InChIKey=JTRQBMXCLBMXBN-KAVGSWPWSA-N
Formula
C52H50F6N2O10S
Mass
1009.03
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Diarylthioethers Trifluoromethylbenzenes Benzo-1,2-dioxanes N-acylpiperidines Piperidinecarboxylic acids Thiophenol ethers Styrenes Ortho dioxins Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Diarylthioether - Benzo-1,2-dioxane - Benzodioxane - Trifluoromethylbenzene - N-acyl-piperidine - Piperidinecarboxylic acid - Aryl thioether - Styrene - Thiophenol ether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Ortho-dioxin - Piperidine - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Sulfenyl compound - Oxacycle - Organoheterocyclic compound - Thioether - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Alkyl fluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available