Compound Identification
SMILES
COC1=CC(CNCC2=NC(C)=C3NC4=CC=CC=C4C3=C2)=CC(OC)=C1OC
InChIKey
InChIKey=WCZUDWBNSKBQTH-UHFFFAOYSA-N
Formula
C23H25N3O3
Mass
391.471
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 6-substituted-2-pyridinylmethylamines Indoles Phenylmethylamines Phenoxy compounds Methoxybenzenes Anisoles Benzylamines Methylpyridines Alkyl aryl ethers Aralkylamines Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Pyridoindole - Beta-carboline - Indole or derivatives - 6-substituted-2-pyridinylmethylamine - Indole - Phenoxy compound - 2-pyridylmethylamine - Anisole - Phenol ether - Phenylmethylamine - Benzylamine - Methoxybenzene - Alkyl aryl ether - Methylpyridine - Aralkylamine - Pyridine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Ether - Secondary amine - Amine - Organic nitrogen compound - Organic oxygen 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