Compound Identification
SMILES
CCN(CCC(O)=O)C(=O)[C@H]1CN(C)[C@@H]2CC3(O)C(=O)NC4=CC=CC(=C34)C2=C1
InChIKey
InChIKey=CNTBOKVHQQHRKP-ODXXDKSYSA-N
Formula
C21H25N3O5
Mass
399.447
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Ergoline and derivatives
- Subclass Lysergic acids 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
Lysergic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Lysergic acids and derivatives
Alternative Parents
6,7-secoergolines Benzoquinolines Quinoline-3-carboxamides Isoindolones Tetralins Indolines Aralkylamines Tertiary alcohols Tertiary carboxylic acid amides Secondary carboxylic acid amides Trialkylamines Lactams Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Lysergic acid or derivatives - 6,7-secoergoline - Benzoquinoline - Quinoline-3-carboxamide - Isoindolone - Quinoline - Tetralin - Isoindole or derivatives - Indole or derivatives - Dihydroindole - Aralkylamine - Benzenoid - Tertiary carboxylic acid amide - Tertiary alcohol - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Amino acid - Lactam - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organic oxygen compound - Organooxygen compound - 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