Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(CCNC(=O)[C@@H]2[C@H](N(C)C(=O)C3=CC(OC)=C(OC)C=C23)C2=CC(OC)=C(OC)C=C2)C=C1

InChIKey

InChIKey=ZTHIVAXCYVTVSB-URLMMPGGSA-N

Formula

C31H36N2O8

Mass

564.635

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Taxonomic Classification

Taxonomy Tree

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 Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Tertiary carboxylic acid amides Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoquinolone - O-dimethoxybenzene - Dimethoxybenzene - Tetrahydroisoquinoline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - 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

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