Compound Identification
SMILES
COC1=C(C)C(C)=C(C=C1)C1NCCC2=C1NC1=C2C=C(F)C=C1
InChIKey
InChIKey=WOVRSTSNNZTBRI-UHFFFAOYSA-N
Formula
C20H21FN2O
Mass
324.399
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 o-Xylenes Phenoxy compounds Methoxybenzenes Anisoles Aralkylamines Alkyl aryl ethers Aryl fluorides Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Anisole - Phenoxy compound - O-xylene - Phenol ether - Xylene - Methoxybenzene - Aralkylamine - Alkyl aryl ether - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Secondary amine - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Ether - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - 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