Compound Identification
SMILES
COC(=O)C1=COC(O)C2C1CC1=NC(O)=CC3=C1N(C2C)C1=C3C=C(O)C=C1
InChIKey
InChIKey=VXLDTIKKTLOKNC-UHFFFAOYSA-N
Formula
C21H20N2O6
Mass
396.399
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 Pyrroloazepines Hydroxyindoles Indoles 1-hydroxy-2-unsubstituted benzenoids Azepines Hydroxypyridines Vinylogous esters Pyrroles Enoate esters Heteroaromatic compounds Methyl esters Hemiacetals Oxacyclic compounds Polyols Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organopnictogen compounds Organonitrogen compounds Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Akageran skeleton - Beta-carboline - Pyridoindole - Hydroxyindole - Pyrroloazepine - Indole - Indole or derivatives - Azepine - 1-hydroxy-2-unsubstituted benzenoid - Hydroxypyridine - Pyridine - Benzenoid - Heteroaromatic compound - Pyrrole - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous ester - Carboxylic acid ester - Hemiacetal - Oxacycle - Organoheterocyclic compound - Azacycle - Polyol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - 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