Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C)NC2=C(OC(=O)N(C)C)C=C3N(C[C@@H](CBr)C3=C12)C(=O)\C=C\C1=CC(OCC(=O)OC(C)(C)C)=C(OC)C=C1

InChIKey

InChIKey=TTXKAGMTROTGPU-ZAHGZRRWSA-N

Formula

C33H38BrN3O9

Mass

700.583

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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

Cinnamic acid or derivatives - Indolecarboxylic acid derivative - Pyrroloindole - Phenoxyacetate - Indole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Pyrrole-3-carboxylic acid or derivatives - Styrene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Methyl ester - Carbamic acid ester - Pyrrole - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Ether - Azacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organobromide - Organic oxide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Alkyl bromide - Organic nitrogen compound - Organic oxygen compound - Alkyl halide - Organohalogen compound - 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

Not available

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