Compound Identification
SMILES
COC(=O)C1C2CC3=C(NC4=CC=CC=C34)[C@@H]3C[C@H]1\C(CN23)=C\C
InChIKey
InChIKey=VXRAIAAMNNTQES-FMCLNOCRSA-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 Pyrroles Methyl esters Heteroaromatic compounds Trialkylamines Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
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 - Benzenoid - Piperidine - Heteroaromatic compound - Methyl ester - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen 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