Compound Identification
SMILES
COc1ccc(cc1OC)-c1nccc2c3ccccc3n(CCCCOc3ccc4c(c3)n(CCCc3ccccc3)c3c(C)nccc43)c12
InChIKey
InChIKey=MJOTXKMYEBFEDZ-UHFFFAOYSA-N
Formula
C44H42N4O3
Mass
674.845
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 N-alkylindoles Phenoxy compounds Methoxybenzenes Anisoles Methylpyridines Alkyl aryl ethers 2-halopyridines Substituted pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Pyridoindole - Beta-carboline - N-alkylindole - Indole or derivatives - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - 2-halopyridine - Methylpyridine - Alkyl aryl ether - Benzenoid - Substituted pyrrole - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen 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