Compound Identification
SMILES
CC(=O)C1=C2C(CC3CN(C(=O)C4=CC=CC=C4)C4=CC=CC2=C34)N=C1O
InChIKey
InChIKey=YNQRXQKMPLQFTJ-UHFFFAOYSA-N
Formula
C22H18N2O3
Mass
358.397
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class 6,7-secoergolines
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Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
6,7-secoergolines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
6,7-secoergolines
Alternative Parents
Ergoline and derivatives Indolecarboxylic acids and derivatives Tetralins Isoindoles and derivatives Benzamides Benzoyl derivatives Tertiary carboxylic acid amides Cyclic carboximidic acids Ketones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6,7-secoergoline - Ergoline skeleton - Indolecarboxylic acid derivative - Tetralin - Benzamide - Benzoic acid or derivatives - Indole or derivatives - Isoindole or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Cyclic carboximidic acid - Tertiary carboxylic acid amide - Carboxamide group - Ketone - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 6,7-secoergolines. These are compounds containing a tricyclic ergoline analog, where carbon atoms C6 and C7 are not linked to each other.
External Descriptors
Not available