Compound Identification
SMILES
CCC1=CC=C(OCCN2CCC3(C2)N(CCC2=C3NC3=C2C=C(OC)C=C3)C(C)=O)C=C1
InChIKey
InChIKey=PSPYXYOQNNRABT-UHFFFAOYSA-N
Formula
C27H33N3O3
Mass
447.579
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 Anisoles Alkyl aryl ethers Aralkylamines N-alkylpyrrolidines Tertiary carboxylic acid amides Pyrroles Acetamides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Heteroaromatic compound - Acetamide - Pyrrole - Pyrrolidine - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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