Structure Information
Structure

Compound Identification

SMILES

COC1=C(C)C(=O)C2=C([C@H](COC(=O)C3=CC=C(Br)C=C3)N3[C@@H](C2)[C@@H]2N(C)[C@@H](CC4=C2C(=O)C(OC)=C(C)C4=O)[C@@H]3C#N)C1=O

InChIKey

InChIKey=KJTUZRWYDOYJLR-KQWWLPFYSA-N

Formula

C33H30BrN3O8

Mass

676.52

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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

Aromatic heteropolycyclic compounds

Substituents

Isoquinoline quinone - Isoquinolone - Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Halobenzene - Bromobenzene - N-alkylpiperazine - N-methylpiperazine - Aryl bromide - 1,4-diazinane - Benzenoid - Aryl halide - Piperazine - Monocyclic benzene moiety - Vinylogous ester - Amino acid or derivatives - Carboxylic acid ester - Ketone - Tertiary amine - Tertiary aliphatic amine - Alpha-aminonitrile - Carbonitrile - Nitrile - Carboxylic acid derivative - Azacycle - Amine - Organohalogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic 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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