Compound Identification
SMILES
COC(=O)[C@@H]1CC2=C(NC3=CC=CC=C23)[C@H](N1C1=NC(=NC(=N1)N1CCN(C)CC1)N1CCN(C)CC1)C1=CC(OC)=C(OC)C(OC)=C1
InChIKey
InChIKey=OWEQRTRVPQJODG-FREGXXQWSA-N
Formula
C35H45N9O5
Mass
671.803
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 N-arylpiperazines 3-alkylindoles Phenoxy compounds Anisoles Dialkylarylamines Methoxybenzenes Alkyl aryl ethers N-methylpiperazines 1,3,5-triazines Heteroaromatic compounds Pyrroles Methyl esters Trialkylamines Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-benzylamino-s-triazine - Harman - Pyridoindole - Alpha-amino acid ester - Beta-carboline - N-arylpiperazine - 3-alkylindole - Alpha-amino acid or derivatives - Indole - Indole or derivatives - Methoxybenzene - Dialkylarylamine - Phenol ether - Phenoxy compound - Anisole - Amino-1,3,5-triazine - Alkyl aryl ether - N-alkylpiperazine - N-methylpiperazine - Aminotriazine - Monocyclic benzene moiety - 1,3,5-triazine - 1,4-diazinane - Benzenoid - Triazine - Piperazine - Methyl ester - Pyrrole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Amino acid or derivatives - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - 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