Compound Identification
SMILES
CC1=NC2=CC=CC=C2C(COC2=CC3=C(NC[C@H]3C(=O)[C@H]3NC[C@@]4(C[C@H]4C(N)=O)C[C@H]3C(O)=O)C=C2)=C1
InChIKey
InChIKey=PBLJIDFEDCAFKW-DOAJDIMGSA-N
Formula
C29H30N4O5
Mass
514.582
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class 10,11-secoergolines
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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 Quinolines and derivatives Piperidinecarboxylic acids Indolines Phenol ethers Gamma-keto acids and derivatives Secondary alkylarylamines Alkyl aryl ethers Aralkylamines Methylpyridines Beta-amino ketones Cyclopropanecarboxylic acids and derivatives Alpha-amino ketones Heteroaromatic compounds Amino acids Primary carboxylic acid amides Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
10,11-secoergoline - Ergoline skeleton - Quinoline - Dihydroindole - Indole or derivatives - Piperidinecarboxylic acid - Gamma-keto acid - Phenol ether - Alkyl aryl ether - Methylpyridine - Secondary aliphatic/aromatic amine - Aralkylamine - Beta-aminoketone - Pyridine - Piperidine - Keto acid - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Alpha-aminoketone - Ketone - Primary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Amine - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - 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