Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC2C=C(CC(C2O)N(CC2=CC=CC=C2)C(=O)C2=CC3=CC=CC=C3OC2=O)C(=O)NCCO)C(I)=CC(C=O)=C1

InChIKey

InChIKey=HAGYRNOWMYKGLZ-UHFFFAOYSA-N

Formula

C34H31IN2O9

Mass

738.531

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumarin - Benzopyran - 1-benzopyran - Anisole - Benzaldehyde - Benzoyl - Phenoxy compound - N-acylethanolamine - Phenol ether - Methoxybenzene - Aryl-aldehyde - Alkyl aryl ether - Halobenzene - Pyranone - Iodobenzene - Benzenoid - Pyran - Aryl halide - Monocyclic benzene moiety - Aryl iodide - Heteroaromatic compound - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Secondary alcohol - Lactone - Carboxamide group - Oxacycle - Ether - Carboxylic acid derivative - Alkanolamine - Organoheterocyclic compound - Organopnictogen compound - Alcohol - Carbonyl group - Organohalogen compound - Organic nitrogen compound - Organoiodide - Aldehyde - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).

External Descriptors

Not available

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