Compound Identification
SMILES
COC1=C(OC)C(=O)\C(C=C1)=C1\C(C)=C(NC(=C1N)C1=NC2=C(C=C1)C(=O)C(OC)=C(N)C2=O)C(O)=O.COC1=C(OC)C(=O)\C(C=C1)=C1\C(C)=C(NC(=C1N)C1=NC2=C(C=C1)C(=O)C(OC)=C(N)C2=O)C(O)=O
InChIKey
InChIKey=QTJXHKYHAQSCMF-KEHPPZBUSA-N
Formula
C50H44N8O16
Mass
1012.942
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Quinolines and derivatives
- Subclass Quinoline quinones
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Class
Quinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Quinoline quinones
Intermediate Tree Nodes
Not available
Direct Parent
Quinoline quinones
Alternative Parents
Alpha amino acids Hydroquinolines Dihydropyridinecarboxylic acids and derivatives O-quinomethanes Aryl ketones Vinylogous esters Vinylogous amides Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Enamines Dialkylamines Organic oxides Hydrocarbon derivatives Monoalkylamines
Molecular Framework
Not available
Substituents
Quinoline quinone - Alpha-amino acid - Alpha-amino acid or derivatives - Dihydroquinoline - Dihydropyridinecarboxylic acid derivative - O-quinomethane - Aryl ketone - Quinomethane - Dihydropyridine - Hydropyridine - Pyridine - Heteroaromatic compound - Vinylogous ester - Vinylogous amide - Cyclic ketone - Amino acid or derivatives - Amino acid - Ketone - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Enamine - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organic oxide - Primary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinoline quinones. These are quinoline derivative with a structure containing a 5,8-dihydroisoquinoline-5,8-dione skeleton.
External Descriptors
Not available