Compound Identification
SMILES
COC(=O)C1=COC(O)C2C1CC1=C3N(C2C)C2=C(C=C(O)C=C2)C3=CC(=N1)C(O)=O
InChIKey
InChIKey=DJWXVEDJWPDUBQ-UHFFFAOYSA-N
Formula
C22H20N2O7
Mass
424.409
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 Pyridinecarboxylic acids Indoles 1-hydroxy-2-unsubstituted benzenoids Azepines Vinylogous esters Pyrroles Enoate esters Methyl esters Heteroaromatic compounds Hemiacetals Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Akageran skeleton - Beta-carboline - Pyridoindole - Hydroxyindole - Pyrroloazepine - Indole - Indole or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Azepine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous ester - Pyrrole - Alpha,beta-unsaturated carboxylic ester - Methyl ester - Enoate ester - Hemiacetal - Carboxylic acid ester - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - 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