Compound Identification
SMILES
NC(=O)[C@@H]1C[C@@]11CN[C@@H]([C@@H](C1)C(O)=O)C(=O)[C@@H]1CNC2=C1C=C(OCC1=CC=CC=C1)C=C2
InChIKey
InChIKey=MLNBHXLRNZQYBZ-RHNVHHLZSA-N
Formula
C25H27N3O5
Mass
449.507
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 Piperidinecarboxylic acids Indolines Phenol ethers Gamma-keto acids and derivatives Secondary alkylarylamines Alkyl aryl ethers Aralkylamines Benzene and substituted derivatives Beta-amino ketones Cyclopropanecarboxylic acids and derivatives Alpha-amino ketones Amino acids Primary carboxylic acid amides Carboxylic acids Azacyclic compounds Dialkylamines Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
10,11-secoergoline - Ergoline skeleton - Indole or derivatives - Dihydroindole - Piperidinecarboxylic acid - Gamma-keto acid - Phenol ether - Alkyl aryl ether - Aralkylamine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Beta-aminoketone - Cyclopropanecarboxylic acid or derivatives - Keto acid - Benzenoid - Piperidine - Alpha-aminoketone - Primary carboxylic acid amide - Amino acid or derivatives - Ketone - Carboxamide group - Amino acid - Secondary amine - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Secondary aliphatic amine - Ether - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - 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