Structure Information
Structure

Compound Identification

SMILES

CC1=CC(COC2=C(C)C3=C(C=C2)C(C)=C(CC(=O)N2CCC4(O)CCCCC4C2)C(=O)O3)=CC(C)=C1

InChIKey

InChIKey=OBENKEVCDXEYKG-UHFFFAOYSA-N

Formula

C31H37NO5

Mass

503.639

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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 - N-acyl-piperidine - M-xylene - Xylene - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Piperidine - Pyran - Heteroaromatic compound - Cyclic alcohol - Tertiary carboxylic acid amide - Tertiary alcohol - Carboxamide group - Lactone - Oxacycle - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxide - Alcohol - 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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