Compound Identification
SMILES
CC(C)[C@@H]1N(CCC2=C1NC1=CC=CC=C21)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)(C)C1=CC=CC=C1
InChIKey
InChIKey=ONGMYAGSDBSDQW-GUBZSSBISA-N
Formula
C31H40N2O2
Mass
472.673
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 Menthane monoterpenoids Aromatic monoterpenoids 3-alkylindoles Phenylpropanes Pyrroles Heteroaromatic compounds Carbamate esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Aromatic monoterpenoid - Monoterpenoid - 3-alkylindole - P-menthane monoterpenoid - Indole - Indole or derivatives - Phenylpropane - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Pyrrole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - 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