Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=COC(O)C2C1CC1=NC(=CC3=C1N(C2C)C1=C3C=C(O)C=C1C)C(O)=O

InChIKey

InChIKey=GWFDOHGJOZNTET-UHFFFAOYSA-N

Formula

C23H22N2O7

Mass

438.436

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

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

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

Previous Back Next