Compound Identification
SMILES
CCC1=COC[C@H]2[C@@H]3CC4=C([C@H](C[C@@H]12)N3C)N(C)C1=CC=CC=C41
InChIKey
InChIKey=LSTHOTMJAIHSME-RKOGWWSCSA-N
Formula
C21H26N2O
Mass
322.452
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
Beta carbolines N-alkylindoles 3-alkylindoles Aralkylamines Piperidines N-methylpyrroles Benzenoids Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Macroline skeleton - Beta-carboline - Pyridoindole - N-alkylindole - 3-alkylindole - Indole - Indole or derivatives - Aralkylamine - N-methylpyrrole - Piperidine - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen 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
CHEBI:35917 : indole alkaloid - indole alkaloid fundamental parent