Structure Information
Structure

Compound Identification

SMILES

ClCCOC(=O)C1=CC=CC=C1C1=C2C=CC(C=C2OC2=C1C=CC(=C2)C(\C#N)=C1\NC2=CC=CC=C2S1)C(\C#N)=C1\NC2=CC=CC=C2S1

InChIKey

InChIKey=OOZXQDNTMGOJMT-XSOAYIPBSA-N

Formula

C40H25ClN4O3S2

Mass

709.24

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Neoflavonoids

Subclass

Prenylated neoflavonoids

Intermediate Tree Nodes

Not available

Direct Parent

Prenylated neoflavonoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Prenylated neoflavonoid - Neoflavene - Dibenzopyran - Xanthene - Benzoate ester - Benzopyran - 1-benzopyran - Benzoic acid or derivatives - Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Benzoyl - Monocyclic benzene moiety - Benzenoid - Thiazole - Ketene acetal or derivatives - Carboxylic acid ester - Oxacycle - Azacycle - Nitrile - Carbonitrile - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Alkyl halide - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Alkyl chloride - Amine - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as prenylated neoflavonoids. These are neoflavonoids that features a C5-isoprenoid substituent at any position of the A, B, or C ring. Neoflavonoids are compounds with a structure based on the 4-phenylchromene backbone.

External Descriptors

Not available

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