Compound Identification
SMILES
CC1=C2NC3=CC=CC=C3C2=CC(=N1)C(=O)NNC(=O)[C@H](CC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C
InChIKey
InChIKey=GPXCNKVMSBCQAN-QHCPKHFHSA-N
Formula
C29H31N5O6
Mass
545.596
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Harmala alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Harmala alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Harmala alkaloids
Alternative Parents
Aspartic acid and derivatives Beta carbolines Benzyloxycarbonyls Pyridinecarboxylic acids and derivatives Indoles Fatty acid esters Methylpyridines Pyrroles Carbamate esters Heteroaromatic compounds Carboxylic acid hydrazides Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aspartic acid or derivatives - Harman - Beta-carboline - Pyridoindole - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Indole or derivatives - Indole - Pyridine carboxylic acid or derivatives - Methylpyridine - Fatty acid ester - Monocyclic benzene moiety - Pyridine - Fatty acyl - Benzenoid - Pyrrole - Heteroaromatic compound - Carbamic acid ester - Carboxylic acid ester - Carboxylic acid hydrazide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as harmala alkaloids. These are compounds with a structure based on harmaline, harmine, harmalol, harman or a derivative of those parents. These parents are beta-carbolines, consisting of a pyrimidine fused to the pyrrole moiety of an indole to form a pyrido[3,4-b]indole.
External Descriptors
Not available