Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(=C1)C(=O)\C=C\C1=CC(O)=C(O)C(Cl)=C1

InChIKey

InChIKey=CNMDYVVRQROAEP-AATRIKPKSA-N

Formula

C16H13ClO4

Mass

304.73

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Retrochalcone - Cinnamylphenol - Hydroxycinnamic acid or derivatives - Cinnamic acid or derivatives - 3-chlorocatechol - Chlorocatechol - Methoxybenzene - Catechol - Aryl ketone - 3-halophenol - Benzoyl - Anisole - Styrene - 2-halophenol - Phenol ether - Phenoxy compound - 3-chlorophenol - 2-chlorophenol - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Phenol - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl chloride - Enone - Alpha,beta-unsaturated ketone - Acryloyl-group - Ketone - Ether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organochloride - Organohalogen compound - 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

Previous Back Next