Structure Information
Structure

Compound Identification

SMILES

CCCC[C@H](N1C=C(N=N1)C1(CCCCC1)NC(=O)C1=CC=CC=C1)C(=O)NC1=CC2=C(C=C1)C(C)=C(CC(O)=O)C(=O)O2

InChIKey

InChIKey=FXWRQANWJKCCNI-SANMLTNESA-N

Formula

C33H37N5O6

Mass

599.688

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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 - Benzamide - Benzoic acid or derivatives - Benzoyl - N-arylamide - Pyranone - Monocyclic benzene moiety - Fatty amide - Pyran - Benzenoid - Fatty acyl - 1,2,3-triazole - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Lactone - Carboxamide group - Organoheterocyclic compound - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - 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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