Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C(=O)C(\CC1=CC(OC)=C(OC(C)C)C(OC(C)C)=C1)=C(/C(O)=O)C1=CC2=NSN=C2C=C1

InChIKey

InChIKey=PKHQXVKMANGJLK-NFFVHWSESA-N

Formula

C31H32N2O7S

Mass

576.66

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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

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

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