Compound Identification
SMILES
[H][C@]1(O)OC=C(C(=O)OC)[C@]2([H])CC3=C4N(C5=CC=CC=C5C4=CC(=N3)C(O)=O)[C@@]([H])(C)[C@@]12[H]
InChIKey
InChIKey=LZGVQMDOYIHEME-GEQQINRNSA-N
Formula
C22H20N2O6
Mass
408.41
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 Pyridinecarboxylic acids Indoles Azepines Benzenoids Dicarboxylic acids and derivatives Vinylogous esters Pyrroles Methyl esters Heteroaromatic compounds Enoate esters Hemiacetals Oxacyclic compounds Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Akageran skeleton - Beta-carboline - Pyridoindole - Pyrroloazepine - Indole - Indole or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Azepine - Dicarboxylic acid or derivatives - Benzenoid - Pyridine - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Pyrrole - Heteroaromatic compound - Vinylogous ester - Carboxylic acid ester - Hemiacetal - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - 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