Compound Identification
SMILES
COC1=CC2=C(C=C1)C1=C(N2)[C@@H](CO)N(CC2=CC=CC=C2OC)CC11CCN(CC1)C(C)=O
InChIKey
InChIKey=NYXAVZIFCXRLRY-HSZRJFAPSA-N
Formula
C27H33N3O4
Mass
463.578
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 N-acylpiperidines Anisoles Benzylamines Methoxybenzenes Phenoxy compounds Phenylmethylamines Aralkylamines Alkyl aryl ethers Acetamides Heteroaromatic compounds Tertiary carboxylic acid amides Pyrroles Trialkylamines 1,2-aminoalcohols Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - N-acyl-piperidine - Phenoxy compound - Phenol ether - Phenylmethylamine - Anisole - Benzylamine - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Piperidine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Pyrrole - Heteroaromatic compound - Acetamide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - 1,2-aminoalcohol - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carbonyl group - Primary alcohol - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - 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