Compound Identification
SMILES
COC1CC2N(C)C(O)C3(N(CCC4=CC=C(O)C=C4)C(=O)C4=C(C=C5OCOC5=C4)C23C=C1)C(O)=O
InChIKey
InChIKey=SHWGYTPFDOLDAQ-UHFFFAOYSA-N
Formula
C27H28N2O8
Mass
508.527
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Isoquinolines and derivatives
- Subclass Isoquinolones and derivatives
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Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Isoquinolones and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolones and derivatives
Alternative Parents
Tetrahydroisoquinolines Alpha amino acids and derivatives Benzodioxoles Indoles and derivatives Pyrrolidine carboxylic acids 1-hydroxy-2-unsubstituted benzenoids Beta hydroxy acids and derivatives Benzene and substituted derivatives N-alkylpyrrolidines Tertiary carboxylic acid amides Hemiaminals Lactams Dialkyl ethers Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Oxacyclic compounds Acetals Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Alpha-amino acid or derivatives - Tetrahydroisoquinoline - Benzodioxole - Indole or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Beta-hydroxy acid - Phenol - Monocyclic benzene moiety - Hydroxy acid - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Hemiaminal - Acetal - Alkanolamine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
External Descriptors
Not available