Structure Information
Structure

Compound Identification

SMILES

COC1=C(F)C=C(C\C(C(=O)C2=CC=C(C)C=C2)=C(/C(O)=O)C2=CC3=NSN=C3C=C2)C=C1

InChIKey

InChIKey=PBZCFHVKESXHGU-PTGBLXJZSA-N

Formula

C25H19FN2O4S

Mass

462.5

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

Retro-dihydrochalcones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Retrochalcone - Retro-dihydrochalcone - Cinnamic acid or derivatives - Butyrophenone - 2,1,3-benzothiadiazole - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Aryl ketone - Methoxybenzene - Alkyl aryl ether - Toluene - Fluorobenzene - Halobenzene - Aryl fluoride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Heteroaromatic compound - Enone - Thiadiazole - Azole - Alpha,beta-unsaturated ketone - Ketone - Ether - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.

External Descriptors

Not available

Previous Back Next