Structure Information
Structure

Compound Identification

SMILES

[Cl-].OC1=C(O)C(C[NH+]2CCCCC2)=C2OC(=O)C=CC2=C1

InChIKey

InChIKey=UQSIMTCTIRULQB-UHFFFAOYSA-N

Formula

C15H18ClNO4

Mass

311.76

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Hydroxycoumarins

Intermediate Tree Nodes

Not available

Direct Parent

6,7-dihydroxycoumarins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

6,7-dihydroxycoumarin - 7-hydroxycoumarin - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Aralkylamine - Piperidine - Pyran - Benzenoid - Heteroaromatic compound - Quaternary ammonium salt - Lactone - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Organoheterocyclic compound - Organic chloride salt - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic salt - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 6,7-dihydroxycoumarins. These are coumarins bearing two hydroxyl groups at positions 6 and 7 of the coumarin skeleton, respectively.

External Descriptors

Not available

Previous Back Next