Compound Identification
SMILES
COC1=C(C)C(=O)C2=C(C(COC(=O)C3=NC4=CC=CC=C4N=C3)=NC=C2)C1=O
InChIKey
InChIKey=ONWPJOYWXLWHFE-UHFFFAOYSA-N
Formula
C21H15N3O5
Mass
389.367
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
Quinoxalines Pyrazine carboxylic acids Aryl ketones Pyridines and derivatives Benzenoids Vinylogous esters Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline quinone - Quinoxaline - Pyrazine carboxylic acid - Pyrazine carboxylic acid or derivatives - Aryl ketone - Benzenoid - Pyridine - Pyrazine - Heteroaromatic compound - Vinylogous ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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