Compound Identification
SMILES
C\C=C1\C[N+]2(C)[C@H]3CC4=C(NC5=CC=CC=C45)[C@@H]2C[C@@H]1[C@H]3C([O-])=O
InChIKey
InChIKey=JCECAVUEIWGKAR-GPVJNJQOSA-N
Formula
C20H22N2O2
Mass
322.408
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Macroline alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Macroline alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Macroline alkaloids
Alternative Parents
Vobasan alkaloids Ajmaline-sarpagine alkaloids Beta carbolines 3-alkylindoles Piperidinecarboxylic acids Quinuclidines Aralkylamines Benzenoids Heteroaromatic compounds Pyrroles Tetraalkylammonium salts Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Macroline skeleton - Sarpagine-skeleton - Vobasan skeleton - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Piperidinecarboxylic acid - Quinuclidine - Aralkylamine - Piperidine - Benzenoid - Tetraalkylammonium salt - Heteroaromatic compound - Pyrrole - Quaternary ammonium salt - Carboxylic acid salt - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic salt - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as macroline alkaloids. These are alkaloids with a structure that is based on the tetracyclic macroline skeleton. The macroline skeleton arises by scission of the C-21 to N-4 bond of the akuammilan skeleton, and mostly occurs in bisindole alkaloids.
External Descriptors
Not available