Compound Identification
SMILES
COC(=O)C1CC2=C(NC3=CC=CC=C23)C(N1)C1=CC(OC)=C(C=C1OC)C(C)(C)C
InChIKey
InChIKey=WAHZHYBVFXMLKC-UHFFFAOYSA-N
Formula
C25H30N2O4
Mass
422.525
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
Alpha amino acid esters Beta carbolines 3-alkylindoles Dimethoxybenzenes Phenylpropanes Phenoxy compounds Anisoles Alkyl aryl ethers Aralkylamines Methyl esters Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Alpha-amino acid ester - Beta-carboline - Pyridoindole - Alpha-amino acid or derivatives - P-dimethoxybenzene - Dimethoxybenzene - 3-alkylindole - Indole - Indole or derivatives - Phenylpropane - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Secondary amine - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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