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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Ergoline and derivatives
- Subclass Clavines and derivatives
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Class
Ergoline and derivatives
-
Superclass
Alkaloids and derivatives
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
3-alkylindoles Isoindoles and derivatives Aralkylamines Benzenoids Quaternary ammonium salts Pyrroles Heteroaromatic compounds Enals Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes Organic cations
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