Compound Identification
SMILES
COCN1C2=CC=CC=C2C2=C1C(CCC=C)N(CC2)C=NC(COC(C)(C)C)C(C)C
InChIKey
InChIKey=ANOSNBVMVUYJHE-UHFFFAOYSA-N
Formula
C27H41N3O2
Mass
439.644
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 3-alkylindoles Substituted pyrroles Benzenoids Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Formamidines Dialkyl ethers Carboximidamides Carboxamidines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - N-alkylindole - 3-alkylindole - Indole - Indole or derivatives - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid amidine - Dialkyl ether - Ether - Formamidine - Amidine - Organoheterocyclic compound - Azacycle - Carboximidamide - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen 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