Structure Information
Structure

Compound Identification

SMILES

CCC(C)C(NC(=O)CCC1=C(C)C2=C(OC1=O)C=C1OC=C(C1=C2)C(C)(C)C)C(O)=O

InChIKey

InChIKey=CCBLNARERULSGL-UHFFFAOYSA-N

Formula

C25H31NO6

Mass

441.524

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Furanocoumarins

Intermediate Tree Nodes

Linear furanocoumarins

Direct Parent

Psoralens

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoleucine or derivatives - Psoralen - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - Benzofuran - Pyranone - Fatty amide - Pyran - Fatty acyl - Benzenoid - Heteroaromatic compound - Furan - Secondary carboxylic acid amide - Carboxamide group - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one.

External Descriptors

Not available

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