Compound Identification
SMILES
CCCCCCCC1=CC=C(C\C=C/[C@@H](SCC2=CC=C(\C=C\C(O)=O)C=C2)[C@@H](O)CCCC(O)=O)C=C1
InChIKey
InChIKey=CXUYIFNEHLJSPJ-ITFFPKAASA-N
Formula
C32H42O5S
Mass
538.74
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acids
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acids
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids
Alternative Parents
Styrenes Medium-chain fatty acids Thia fatty acids Hydroxy fatty acids Unsaturated fatty acids Dicarboxylic acids and derivatives Secondary alcohols Sulfenyl compounds Dialkylthioethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid - Styrene - Medium-chain fatty acid - Hydroxy fatty acid - Thia fatty acid - Fatty acyl - Fatty acid - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Secondary alcohol - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Thioether - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available