Compound Identification
SMILES
CC(C)(C)C1=CC=C(\C=C/C(=O)CCC(O)=O)C=C1
InChIKey
InChIKey=YEPRALCCTFNFGO-TWGQIWQCSA-N
Formula
C16H20O3
Mass
260.333
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
Phenylpropanes Medium-chain keto acids and derivatives Styrenes Gamma-keto acids and derivatives Branched fatty acids Unsaturated fatty acids Enones Acryloyl compounds Ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Medium-chain keto acid - Phenylpropane - Gamma-keto acid - Styrene - Branched fatty acid - Monocyclic benzene moiety - Keto acid - Fatty acyl - Benzenoid - Unsaturated fatty acid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Ketone - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic 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