Structure Information
Structure

Compound Identification

SMILES

CCN1CCN(CC)C2=C1C=C1OC(=O)C(C=NCCC3=CNC4=C3C=C(O)C=C4)=C(C3=CC=CS3)C1=C2

InChIKey

InChIKey=BMAFXMLAUXKFJL-UHFFFAOYSA-N

Formula

C30H30N4O3S

Mass

526.66

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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 - Hydroxyindole - 3-alkylindole - 1-benzopyran - Benzopyran - Indole or derivatives - Indole - Dialkylarylamine - Tertiary aliphatic/aromatic amine - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Benzenoid - Substituted pyrrole - Pyran - Heteroaromatic compound - Thiophene - Pyrrole - Tertiary amine - Shiff base - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Amine - 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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