Structure Information
Structure

Compound Identification

SMILES

CC(C)C1=C(C)C=C2OC(=O)C=C(COC(=O)C3=CC=CC=C3NCC3=CC=CO3)C2=C1

InChIKey

InChIKey=YBYNQJXTQRPBHB-UHFFFAOYSA-N

Formula

C26H25NO5

Mass

431.488

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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 - Aminobenzoic acid or derivatives - Benzoate ester - Benzopyran - 1-benzopyran - Benzoic acid or derivatives - Cumene - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Aralkylamine - Pyranone - Secondary aliphatic/aromatic amine - Pyran - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Furan - Heteroaromatic compound - Amino acid or derivatives - Lactone - Carboxylic acid ester - Secondary amine - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen 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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