Compound Identification
SMILES
COC(=O)[C@@H]1CC2=C(NC3=CC=CC=C23)[C@H](N1C1=NC(=NC(=N1)N1CCN(CC1)C1=CC=CC=C1)N1CCN(CC1)C1=CC=CC=C1)C1=CC=C(OC)C=C1
InChIKey
InChIKey=QQDZEAAQJVHRLO-SLPFEWDZSA-N
Formula
C43H45N9O3
Mass
735.893
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
2-benzylamino-s-triazines Alpha amino acid esters Beta carbolines Phenylpiperazines N-arylpiperazines 3-alkylindoles Phenoxy compounds Aniline and substituted anilines Anisoles Dialkylarylamines Methoxybenzenes Alkyl aryl ethers 1,3,5-triazines Pyrroles Heteroaromatic compounds Methyl esters Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-benzylamino-s-triazine - Harman - Alpha-amino acid ester - Beta-carboline - Pyridoindole - Phenylpiperazine - N-arylpiperazine - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Aminotriazine - Alkyl aryl ether - Amino-1,3,5-triazine - Monocyclic benzene moiety - Triazine - 1,3,5-triazine - 1,4-diazinane - Benzenoid - Piperazine - Heteroaromatic compound - Methyl ester - Pyrrole - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Monocarboxylic acid or derivatives - Ether - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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