Compound Identification
SMILES
COC1=C(OCC([O-])=O)C=CC(\C=C\C(=O)C2=CC(Cl)=CC=C2)=C1
InChIKey
InChIKey=MWEZEKNZKREBOB-FNORWQNLSA-M
Formula
C18H14ClO5
Mass
345.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Linear 1,3-diarylpropanoids
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Subclass
Chalcones and dihydrochalcones
- Level 5 Retrochalcones
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Subclass
Chalcones and dihydrochalcones
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Class
Linear 1,3-diarylpropanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Chalcones and dihydrochalcones
Intermediate Tree Nodes
Not available
Direct Parent
Retrochalcones
Alternative Parents
Cinnamic acids and derivatives Phenoxyacetic acid derivatives Styrenes Phenoxy compounds Anisoles Aryl ketones Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Acryloyl compounds Enones Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Organochlorides Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Phenoxyacetate - Phenoxy compound - Benzoyl - Phenol ether - Styrene - Aryl ketone - Methoxybenzene - Anisole - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Carboxylic acid salt - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Ether - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic anion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available