Compound Identification
SMILES
COC1CCC(CC2CN(C(=O)OC)C3=CC=CC=C23)N(C)C1
InChIKey
InChIKey=MSLYEXADNWFYBY-UHFFFAOYSA-N
Formula
C18H26N2O3
Mass
318.417
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class 10,11-secoergolines
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
10,11-secoergolines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
10,11-secoergolines
Alternative Parents
Ergoline and derivatives Indolecarboxylic acids Aralkylamines Piperidines Benzenoids Carbamate esters Trialkylamines Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
10,11-secoergoline - Ergoline skeleton - Indolecarboxylic acid - Indolecarboxylic acid derivative - Indole or derivatives - Aralkylamine - Piperidine - Benzenoid - Carbamic acid ester - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 10,11-secoergolines. These are ergoline derivatives, where carbon atoms C10 and C11 of the ergoline moiety are not linked to each other.
External Descriptors
Not available