Compound Identification
SMILES
OCCCCC1NC(CC2=C1NC1=CC=CC=C21)C(O)=O
InChIKey
InChIKey=HARFDEQUJYPSET-UHFFFAOYSA-N
Formula
C16H20N2O3
Mass
288.347
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 Alpha amino acids Aralkylamines Benzenoids Pyrroles Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Dialkylamines Carboxylic acids Organopnictogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Aralkylamine - Benzenoid - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Secondary amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Amine - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic oxide - 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