Compound Identification
SMILES
COC(=O)\C=C\C1=CC2=C(NC3=C2CCNC32CCN(CCOC3=CC=CC=C3)C2)C=C1
InChIKey
InChIKey=JWSDLUDZKIYPCQ-CSKARUKUSA-N
Formula
C26H29N3O3
Mass
431.536
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 Cinnamic acid esters 3-alkylindoles Styrenes Phenoxy compounds Phenol ethers Alkyl aryl ethers Aralkylamines Fatty acid esters N-alkylpyrrolidines Pyrroles Methyl esters Enoate esters Heteroaromatic compounds Trialkylamines Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Pyridoindole - Beta-carboline - Cinnamic acid ester - Cinnamic acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Phenoxy compound - Phenol ether - Styrene - Fatty acid ester - Aralkylamine - Alkyl aryl ether - Fatty acyl - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Pyrrole - Pyrrolidine - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Monocarboxylic acid or derivatives - Secondary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Secondary aliphatic amine - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Amine - 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