Compound Identification
SMILES
CCCCNC(=O)N1CCC2=C(NC3=C2C=C(OC)C=C3)[C@@H]1C1=CC=C(OC)C=C1
InChIKey
InChIKey=ZJJWDGPVTAFRPX-QHCPKHFHSA-N
Formula
C24H29N3O3
Mass
407.514
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 Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Pyrroles Heteroaromatic compounds Ureas Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrole - Urea - Azacycle - Organoheterocyclic compound - Ether - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - 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