Structure Information
Structure

Compound Identification

SMILES

CSCCC(NC(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C1=CC=CC=C1)C(O)=O

InChIKey

InChIKey=YWBXLSJSEFUEKN-UHFFFAOYSA-N

Formula

C22H21NO6S

Mass

427.47

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Neoflavonoids

Subclass

Neoflavones

Intermediate Tree Nodes

Not available

Direct Parent

Neoflavones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

4-phenylcoumarin - Methionine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Coumarin - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Thia fatty acid - Benzenoid - Fatty acyl - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Lactone - Carboxamide group - Secondary carboxylic acid amide - Dialkylthioether - Organoheterocyclic compound - Thioether - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Ether - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as neoflavones. These are neoflavonoids with a structure based on the 4-phenylcoumarin skeleton.

External Descriptors

Not available

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