Compound Identification
SMILES
COC1=C(C)C(=O)C2=C([C@H](CO)N3[C@@H](C#N)[C@H]4C[C@@H]5[C@H]6OCCN6[C@H]2[C@H]3[C@@H]5N4C)C1=O
InChIKey
InChIKey=KDWXMIJUXUSUMZ-RGJXOWEKSA-N
Formula
C22H26N4O5
Mass
426.473
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass Isoquinoline quinones
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Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Isoquinoline quinones
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinoline quinones
Alternative Parents
Isoquinolones and derivatives Naphthyridines Piperazinopiperidines N-methylpiperazines Azepanes Piperidines N-alkylpyrrolidines Oxazolidines Vinylogous esters Alpha-aminonitriles Ketones Hemiaminals Trialkylamines Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Isoquinoline quinone - Isoquinolone - Naphthyridine - Piperazino-3,4-b-piperidine - Azepane - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - Piperazine - N-alkylpyrrolidine - Piperidine - Oxazolidine - Vinylogous ester - Pyrrolidine - Alpha-aminonitrile - Hemiaminal - Ketone - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Nitrile - Carbonitrile - Azacycle - Organooxygen compound - Organonitrogen compound - Alcohol - Amine - Organic oxygen compound - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organic oxide - Primary alcohol - Carbonyl group - 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