Compound Identification
SMILES
CCC1N(CCC2=C1NC1=CC=CC=C21)C(=S)NC1=C(OC)C=CC(C)=C1
InChIKey
InChIKey=PEVBRKUPZAWVNM-UHFFFAOYSA-N
Formula
C22H25N3OS
Mass
379.52
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 N-phenylthioureas 3-alkylindoles Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Toluenes Alkyl aryl ethers Pyrroles Heteroaromatic compounds Thioureas Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - N-phenylthiourea - 3-alkylindole - Indole - Indole or derivatives - Methoxyaniline - Methoxybenzene - Phenol ether - Phenoxy compound - Anisole - Toluene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Thiourea - Azacycle - Organoheterocyclic compound - Ether - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen 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