Structure Information
Structure

Compound Identification

SMILES

CN1CCC2(C1NC1=CC=CC=C21)C1=C2NC3N(C)CCC3(C2=CC=C1)C12CCN(C)C1NC1=C(C=CC=C21)C12CCN(C)C1NC1=CC=CC=C21

InChIKey

InChIKey=XRCKDTICIIHERM-UHFFFAOYSA-N

Formula

C44H50N8

Mass

690.94

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Indoles and derivatives

Subclass

Pyrroloindoles

Intermediate Tree Nodes

Not available

Direct Parent

Pyrroloindoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyrroloindole - Indole - Dihydroindole - Secondary aliphatic/aromatic amine - Benzenoid - N-alkylpyrrolidine - Pyrrole - Pyrrolidine - Azacycle - Secondary amine - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrroloindoles. These are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.

External Descriptors

CHEBI:8689 : pyrroloindole
KEGG (C09234) : Indole alkaloids

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