Compound Identification
SMILES
CCOC1=C(OCC)C=C(C=CC(=O)CCC(O)=O)C=C1
InChIKey
InChIKey=PKFWPTFWOWCTTH-UHFFFAOYSA-N
Formula
C16H20O5
Mass
292.331
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
Medium-chain keto acids and derivatives Styrenes Phenoxy compounds Phenol ethers Gamma-keto acids and derivatives Alkyl aryl ethers 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 - Phenoxy compound - Gamma-keto acid - Phenol ether - Styrene - Alkyl aryl ether - Monocyclic benzene moiety - Keto acid - Fatty acyl - Benzenoid - Unsaturated fatty acid - Enone - Alpha,beta-unsaturated ketone - Acryloyl-group - Ketone - Ether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen 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