Structure Information
Structure

Compound Identification

SMILES

CCC1=C(O)C=C2OC(=O)C=C(C[NH+]3CCC(CC3)C(=O)OC)C2=C1

InChIKey

InChIKey=KPECYJXOLJKJDB-UHFFFAOYSA-O

Formula

C19H24NO5

Mass

346.402

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Hydroxycoumarins

Intermediate Tree Nodes

Not available

Direct Parent

7-hydroxycoumarins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

7-hydroxycoumarin - Benzopyran - 1-benzopyran - Piperidinecarboxylic acid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Aralkylamine - Piperidine - Pyran - Benzenoid - Heteroaromatic compound - Quaternary ammonium salt - Methyl ester - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Lactone - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.

External Descriptors

Not available

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