Structure Information
Structure

Compound Identification

SMILES

CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C(=O)OC1=CC=CC=C1

InChIKey

InChIKey=JTMIMYFSDMVBSD-WZONZLPQSA-N

Formula

C26H27N3O3

Mass

429.52

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Ergoline and derivatives

Subclass

Lysergic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Lysergic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Lysergic acid or derivatives - Indoloquinoline - Benzoquinoline - Pyrroloquinoline - Quinoline-3-carboxamide - Quinoline - 3-alkylindole - Indole - Indole or derivatives - Isoindole or derivatives - Phenoxy compound - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Carbamic acid ester - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as lysergic acids and derivatives. These are alkaloids with a structure based on the lysergic acid skeleton.

External Descriptors

Not available

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