Compound Identification
SMILES
Cl.COC1=C(OC)C=C(CC2NCCC3=C2NC2=C3C=C(C)C=C2)C=C1
InChIKey
InChIKey=BKAZOTIBKRWLQA-UHFFFAOYSA-N
Formula
C21H25ClN2O2
Mass
372.89
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 Dimethoxybenzenes 3-alkylindoles Phenoxy compounds Anisoles Aralkylamines Alkyl aryl ethers Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - O-dimethoxybenzene - Dimethoxybenzene - 3-alkylindole - Indole - Indole or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrole - Organoheterocyclic compound - Azacycle - Ether - Secondary aliphatic amine - Secondary amine - Organooxygen compound - Organonitrogen compound - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - 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