Compound Identification
SMILES
COC1=C(COC2=CC(C)=C(C=C2)[N+]([O-])=O)C=C(C=C1)C1NC(CC2=C1NC1=CC=CC=C21)C(O)=O
InChIKey
InChIKey=FDZGIBMCXYYELL-UHFFFAOYSA-N
Formula
C27H25N3O6
Mass
487.512
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 Nitrophenyl ethers 3-alkylindoles Alpha amino acids Nitrotoluenes Anisoles Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Aralkylamines Alkyl aryl ethers Heteroaromatic compounds Pyrroles Amino acids Azacyclic compounds Dialkylamines Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Pyridoindole - Beta-carboline - Nitrophenyl ether - 3-alkylindole - Alpha-amino acid - Alpha-amino acid or derivatives - Nitrobenzene - Indole or derivatives - Nitrotoluene - Indole - Methoxybenzene - Phenol ether - Phenoxy compound - Nitroaromatic compound - Anisole - Toluene - Aralkylamine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Amino acid - C-nitro compound - Organic nitro compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Ether - Secondary aliphatic amine - Carboxylic acid - Organic zwitterion - Organic salt - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Organic oxygen 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