Compound Identification
SMILES
COC1=C(COC2=CC=CC(C)=C2C)C=C(C=C1)[C@H]1NCCC2=C1NC1=C2C=C(OCC2=CC=CC=C2)C=C1
InChIKey
InChIKey=JUWWVQCOIOMOGR-MGBGTMOVSA-N
Formula
C34H34N2O3
Mass
518.657
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 Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Pyridoindole - Beta-carboline - 3-alkylindole - Indole or derivatives - Indole - Phenol ether - Phenoxy compound - Anisole - O-xylene - Xylene - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Azacycle - Secondary aliphatic amine - Ether - Organoheterocyclic compound - 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