Compound Identification
SMILES
COC1=CC=CC=C1C=CC(=O)CCC(O)=O
InChIKey
InChIKey=SRLKBRKKEBSZOE-UHFFFAOYSA-N
Formula
C13H14O4
Mass
234.251
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 Methoxybenzenes Gamma-keto acids and derivatives Anisoles 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 - Anisole - Methoxybenzene - Styrene - Phenol ether - Gamma-keto acid - Alkyl aryl ether - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Unsaturated fatty acid - Keto acid - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Ketone - Ether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - 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