Compound Identification
SMILES
CN1CCC2=C3[C@H]1C[C@@H]1[C@H]([C@H](O)CC=C1C=O)C(=O)N3C1=CC=CC=C21
InChIKey
InChIKey=KJVXWHLHSMZRHH-JCHJZTRSSA-N
Formula
C21H22N2O3
Mass
350.418
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Akageran and related alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Akageran and related alkaloids
Alternative Parents
Beta carbolines 3-alkylindoles Pyrroloazepines Aralkylamines Azepines Benzenoids Pyrroles Heteroaromatic compounds Trialkylamines Secondary alcohols Lactams Azacyclic compounds Aldehydes Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Akageran skeleton - Beta-carboline - Pyridoindole - Pyrroloazepine - 3-alkylindole - Indole - Indole or derivatives - Azepine - Aralkylamine - Benzenoid - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Lactam - Azacycle - Organoheterocyclic compound - Aldehyde - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alcohol - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as akageran and related alkaloids. These are a small group of alkaloids typified by Akagerine, a tetracyclic compound that consist of a b-carboline fused to an azepine ring, which is substituted by a methyl group and a 2-methyl butane group. Akageran and related alkaloids appears to be formed by bond-breaking of a corynanthe precursor followed by formation of a 7-membered ring.
External Descriptors
Not available