Compound Identification
SMILES
COC1=C(C)C(=O)C2=C(C(CNC(=O)C(C)=O)N3C(C2)C2N(C)C(CC4=C2C(=O)C(OC)=C(C)C4=O)C3C#N)C1=O
InChIKey
InChIKey=JNEGMBHBUAJRSX-UHFFFAOYSA-N
Formula
C29H30N4O8
Mass
562.579
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 N-methylpiperazines Vinylogous esters Trialkylamines Secondary carboxylic acid amides Ketones Amino acids and derivatives Alpha-aminonitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Isoquinoline quinone - Isoquinolone - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Vinylogous ester - Amino acid or derivatives - Alpha-aminonitrile - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Ketone - Azacycle - Carboxylic acid derivative - Carbonitrile - Nitrile - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen 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