Structure Information
Structure

Compound Identification

SMILES

COC1=C(C)C(=O)C2=C([C@H](COC(=O)C(\C)=C/C)N3[C@@H](O)[C@@H]4CC5=C(C([C@@H]3C2)N4C)C(=O)C(OC)=C(C)C5=O)C1=O

InChIKey

InChIKey=BGHIUZDGPHSOIT-XUTLSAOZSA-N

Formula

C30H34N2O9

Mass

566.607

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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 - Fatty acid ester - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Fatty acyl - Vinylogous ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Ketone - Carboxylic acid ester - Hemiaminal - Azacycle - Alkanolamine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - 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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