Compound Identification
SMILES
COC(=O)C1=COC(O)C2C1CC1=NC(=CC3=C1N(C2C)C1=C3C=C(O)C(C)=C1)C(O)=O
InChIKey
InChIKey=NOYRYKNMBZUBKU-UHFFFAOYSA-N
Formula
C23H22N2O7
Mass
438.436
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 Dicarboxylic acids and derivatives Vinylogous esters Pyrroles Methyl esters Enoate esters Heteroaromatic compounds Hemiacetals Oxacyclic compounds Azacyclic compounds Carboxylic acids Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Akageran skeleton - Beta-carboline - Pyridoindole - Pyrroloazepine - Hydroxyindole - Indole - Indole or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Azepine - Dicarboxylic acid or derivatives - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Pyrrole - Carboxylic acid ester - Hemiacetal - Azacycle - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - 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