Compound Identification
SMILES
COC(=O)C1(CO)C2C[C@H]3C4=C(C[C@@H]1[N+]3([O-])C\C2=C\C)C1=CC=CC=C1N4
InChIKey
InChIKey=ATIZKZWYIGEWST-RDPFBCNDSA-N
Formula
C21H24N2O4
Mass
368.433
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
Corynanthean-type alkaloids Vobasan alkaloids Beta carbolines 3-alkylindoles Piperidinecarboxylic acids Quinuclidines Beta hydroxy acids and derivatives Benzenoids Trialkyl amine oxides Pyrroles Methyl esters Heteroaromatic compounds Trisubstituted amine oxides and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Macroline skeleton - Corynanthean skeleton - Vobasan skeleton - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Piperidinecarboxylic acid - Quinuclidine - Beta-hydroxy acid - Hydroxy acid - Piperidine - Benzenoid - Methyl ester - Heteroaromatic compound - Pyrrole - Trialkyl amine oxide - Carboxylic acid ester - Trisubstituted n-oxide - N-oxide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Primary alcohol - Carbonyl group - Organic oxide - Alcohol - Organic oxygen compound - 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