Compound Identification
SMILES
CN1C[C@@]2(C[C@H]2C(N)=O)C[C@H]([C@H]1C(=O)[C@@H]1CNC2=C1C=C(OCC1=CC(C)=NC3=CC=CC=C13)C=C2)C(O)=O
InChIKey
InChIKey=FTCSQQMDQLQTKS-HLTRQOQOSA-N
Formula
C30H32N4O5
Mass
528.609
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 Quinolines and derivatives Piperidinecarboxylic acids Indolines Phenol ethers Gamma-keto acids and derivatives Alkyl aryl ethers Secondary alkylarylamines Aralkylamines Methylpyridines Beta-amino ketones Cyclopropanecarboxylic acids and derivatives Alpha-amino ketones Heteroaromatic compounds Trialkylamines Primary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives
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 - Aralkylamine - Secondary aliphatic/aromatic amine - Keto acid - Beta-aminoketone - Piperidine - Pyridine - Benzenoid - Cyclopropanecarboxylic acid or derivatives - Alpha-aminoketone - Heteroaromatic compound - Ketone - Carboxamide group - Primary carboxylic acid amide - Amino acid - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic oxide - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - 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