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Structure Information
Structure

Compound Identification

SMILES

C[NH2+][C@@H]1CC2=CNC3=CC=CC([C@H]1C=C(C)C=O)=C23

InChIKey

InChIKey=XFKPUSAZRRAPSC-UKRRQHHQSA-O

Formula

C16H19N2O

Mass

255.34

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Ergoline and derivatives

Subclass

Clavines and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Clavines and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Chanoclavine skeleton - 3-alkylindole - Indole - Indole or derivatives - Isoindole or derivatives - Aralkylamine - Benzenoid - Alpha,beta-unsaturated aldehyde - Enal - Heteroaromatic compound - Pyrrole - Quaternary ammonium salt - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aldehyde - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as clavines and derivatives. These are hydroxy and dehydro derivatives of 6,8-dimethylergolenes and the corresponding ergolines.

External Descriptors

Not available

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