Compound Identification
SMILES
COC(=O)C1=COC(O)C2C1CC1=NC(CC3=C1N(C2C)C1=C3C=C(O)C=C1)C(O)=O
InChIKey
InChIKey=LXXBUTUMYAQARO-UHFFFAOYSA-N
Formula
C22H22N2O7
Mass
426.425
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 3-alkylindoles Alpha amino acids and derivatives Hydroxyindoles 1-hydroxy-2-unsubstituted benzenoids Azepines Dicarboxylic acids and derivatives Vinylogous esters Pyrroles Enoate esters Heteroaromatic compounds Methyl esters Hemiacetals Ketimines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Azacyclic compounds Oxacyclic compounds Organic oxides Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Akageran skeleton - Pyridoindole - Beta-carboline - 3-alkylindole - Pyrroloazepine - Alpha-amino acid or derivatives - Hydroxyindole - Indole or derivatives - Indole - 1-hydroxy-2-unsubstituted benzenoid - Azepine - Benzenoid - Dicarboxylic acid or derivatives - Heteroaromatic compound - Pyrrole - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Hemiacetal - Ketimine - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organic oxide - Imine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organonitrogen 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