Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C(=O)C#CC1=CC=CC=C1
InChIKey
InChIKey=KNYSUCBEKWGGDW-UHFFFAOYSA-N
Formula
C17H12O3
Mass
264.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Linear 1,3-diarylpropanoids
Alternative Parents
Benzoic acid esters Benzoyl derivatives Aryl ketones Methyl esters Alpha,beta-unsaturated ketones Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Linear 1,3-diarylpropanoid - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Aryl ketone - Benzenoid - Monocyclic benzene moiety - Methyl ester - Alpha,beta-unsaturated ketone - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
External Descriptors
Not available