Structure Information
Structure

Compound Identification

SMILES

[H][C@]12C[C@]3([H])[C@]4([H])OCCN4[C@@]4([H])[C@]([H])(N5C(CO[C@]15[H])=C1C(=O)C(OC)=C(C)C(=O)[C@]41O)[C@]3([H])N2C

InChIKey

InChIKey=MXQLXPOMPYTJAB-PDAUUTCUSA-N

Formula

C21H25N3O6

Mass

415.446

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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 - Piperazino-3,4-b-piperidine - Naphthyridine - Diazanaphthalene - Cyclohexenone - N-alkylpiperazine - N-methylpiperazine - Tetrahydropyridine - Azepane - Piperazine - N-alkylpyrrolidine - Piperidine - 1,4-diazinane - Pyrrolidine - Oxazolidine - Tertiary alcohol - Vinylogous ester - Vinylogous amide - Hemiaminal - Ketone - Tertiary aliphatic amine - Tertiary amine - Enamine - Oxacycle - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Alcohol - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen 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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