Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1NC(CC2=C1NC1=CC=CC=C21)C(O)=O
InChIKey
InChIKey=JLKKXFLIQLNLAN-UHFFFAOYSA-N
Formula
C20H20N2O4
Mass
352.39
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 Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Aralkylamines Pyrroles Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Dimethoxybenzene - O-dimethoxybenzene - Indole - Indole or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Amino acid - Amino acid or derivatives - Secondary amine - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Amine - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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