Compound Identification
SMILES
COC1=C(CN2CCN(CC2)C2=CC=C(C=C2)[N+]([O-])=O)C=C(C=C1)C1NCCC2=C1NC1=CC=CC=C21
InChIKey
InChIKey=VTMALPXYFQHBFL-UHFFFAOYSA-N
Formula
C29H31N5O3
Mass
497.599
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 Phenylpiperazines N-arylpiperazines 3-alkylindoles Nitrobenzenes Aniline and substituted anilines Anisoles Phenylmethylamines Phenoxy compounds Benzylamines Dialkylarylamines Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Aralkylamines N-alkylpiperazines Heteroaromatic compounds Pyrroles Trialkylamines Organic oxoazanium compounds Dialkylamines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Phenylpiperazine - N-arylpiperazine - 3-alkylindole - Indole - Indole or derivatives - Nitrobenzene - Anisole - Benzylamine - Phenoxy compound - Nitroaromatic compound - Phenol ether - Phenylmethylamine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Aralkylamine - N-alkylpiperazine - Alkyl aryl ether - 1,4-diazinane - Benzenoid - Piperazine - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Organic nitro compound - Tertiary aliphatic amine - Tertiary amine - C-nitro compound - Ether - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Organic nitrogen compound - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Amine - 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