Structure Information
Structure

Compound Identification

SMILES

COC1=C(C)C(=O)C2=C(C(CNC(=O)C(C)O)N3CC4CC5=C(C(C3C2)N4C)C(=O)C(OC)=C(C)C5=O)C1=O

InChIKey

InChIKey=ZGVLLWBYFNMAOM-UHFFFAOYSA-N

Formula

C28H33N3O8

Mass

539.585

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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 - Carboxamide group - Ketone - Secondary alcohol - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic oxide - 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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