Compound Identification
SMILES
COC1=CC2=C(NC3=C2CCN(C(=O)CN2CCOCC2)C32CCN(CCOC3=CC=CC=C3)C2)C=C1
InChIKey
InChIKey=UELGHRCMZCOWTE-UHFFFAOYSA-N
Formula
C29H36N4O4
Mass
504.631
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 Alpha amino acids and derivatives Phenoxy compounds Anisoles Alkyl aryl ethers Aralkylamines N-alkylpyrrolidines Morpholines Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Trialkylamines Azacyclic compounds Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Alpha-amino acid or derivatives - 3-alkylindole - Indole or derivatives - Indole - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Morpholine - Monocyclic benzene moiety - Oxazinane - Benzenoid - N-alkylpyrrolidine - Pyrrole - Pyrrolidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - 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