Structure Information
Structure

Compound Identification

SMILES

COC1=C(C)C(=O)C2=C(C(CNC(=O)C(C)=O)N3C(C2)C2N(C)C(CC4=C2C(=O)C(OC)=C(C)C4=O)C3C#N)C1=O

InChIKey

InChIKey=JNEGMBHBUAJRSX-UHFFFAOYSA-N

Formula

C29H30N4O8

Mass

562.579

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isoquinolines and derivatives

Subclass

Isoquinoline quinones

Intermediate Tree Nodes

Not available

Direct Parent

Isoquinoline quinones

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Isoquinoline quinone - Isoquinolone - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Vinylogous ester - Amino acid or derivatives - Alpha-aminonitrile - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Ketone - Azacycle - Carboxylic acid derivative - Carbonitrile - Nitrile - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoquinoline quinones. These are isoquinoline derivative with a structure containing a 5,8-dihydroisoquinoline-5,8-dione skeleton.

External Descriptors

Not available

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