Structure Information
Structure

Compound Identification

SMILES

CC1=CC2=C(C=C1)C=C(CC(O)(CCC1=CC=C(OCCCN3CCCCC3)C=C1)C(N)=O)C(=O)O2

InChIKey

InChIKey=GJTWAQORHIABCF-UHFFFAOYSA-N

Formula

C29H36N2O5

Mass

492.616

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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 - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Piperidine - Benzenoid - Pyran - Heteroaromatic compound - Tertiary alcohol - Amino acid or derivatives - Carboxamide group - Lactone - Primary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Alcohol - Organic oxygen 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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