Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C[C@@H]1CC2=C([C@H](O1)C1=CC=CS1)C(=O)C1=CC=CC=C1C2=O

InChIKey

InChIKey=CJKLHBOZHFPVPH-LAJNKCICSA-N

Formula

C21H18O5S

Mass

382.43

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isochromanequinones

Subclass

Benzoisochromanequinones

Intermediate Tree Nodes

Not available

Direct Parent

Benzoisochromanequinones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoisochromanequinone - Naphthopyranone - Naphthopyran - Naphthoquinone - Naphthalene - Aryl ketone - Quinone - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoisochromanequinones. These are benzo derivatives of isochromanequinones. Isochromanequinones are structurally characterized by a quinone fused to an isochromane, and forming a naphtho[2,3-c]pyran-6,9-dione skeleton.

External Descriptors

Not available

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