Compound Identification
SMILES
CN1[C@@H]2CC3CN(C(=O)C4=CC=CC=C4)C4=CC=CC(=C34)C2=CC(C)(CC=O)C1=O
InChIKey
InChIKey=YARYGQYMBLIBQV-VHCIKCAMSA-N
Formula
C25H24N2O3
Mass
400.478
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
6,7-secoergolines Benzoquinolines Indolecarboxylic acids and derivatives Tetralins Isoindoles and derivatives Benzamides Benzoyl derivatives Tertiary carboxylic acid amides Alpha-hydrogen aldehydes Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Clavine skeleton - 6,7-secoergoline - Benzoquinoline - Indolecarboxylic acid derivative - Quinoline - Tetralin - Benzamide - Benzoic acid or derivatives - Isoindole or derivatives - Indole or derivatives - Benzoyl - Benzenoid - Monocyclic benzene moiety - Alpha-hydrogen aldehyde - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aldehyde - Organic oxide - Hydrocarbon derivative - 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