Compound Identification
SMILES
COC(=O)C1=COC(O)C2C1CC1=NC(=CC3C1N(C2C)C1=C3C=C(O)C=C1)C(O)=O
InChIKey
InChIKey=XRVOZSHMVZIJNP-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 Alpha amino acids and derivatives Dialkylarylamines 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Azepanes Dicarboxylic acids and derivatives Enoate esters Vinylogous esters Methyl esters Hemiacetals Amino acids Ketimines Carboxylic acids Azacyclic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Akageran skeleton - Beta-carboline - Pyridoindole - Alpha-amino acid or derivatives - Indole or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - 1-hydroxy-2-unsubstituted benzenoid - Azepane - Aralkylamine - Dicarboxylic acid or derivatives - Benzenoid - Vinylogous ester - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Carboxylic acid ester - Hemiacetal - Ketimine - Amino acid - Tertiary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Azacycle - Amine - Organic nitrogen compound - Imine - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen 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