Compound Identification
SMILES
O=C1O[C@H]([C@@H]2N(CCC3=C2NC2=CC=CC=C32)\C=C2/OC(=O)C3=CC=CC=C23)C2=CC=CC=C12
InChIKey
InChIKey=GCABLUGXOGQONP-IJUWRAAOSA-N
Formula
C28H20N2O4
Mass
448.478
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
Beta carbolines 3-alkylindoles Phthalides Benzofuranones Aralkylamines Benzenoids Pyrroles Enol esters Heteroaromatic compounds Amino acids and derivatives Trialkylamines Lactones Enamines Oxacyclic compounds Azacyclic compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Benzofuranone - Isobenzofuranone - Phthalide - 3-alkylindole - Isocoumaran - Indole - Indole or derivatives - Aralkylamine - Benzenoid - Enol ester - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Lactone - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Enamine - Organooxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - 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