Compound Identification
SMILES
CO[C@H]1C[C@]2(CC3N(C)CCC4=CC(OC)=C(O)C2=C34)CC[C@@]11NCCC2=C1NC1=CC(OC)=C(OC)C=C21
InChIKey
InChIKey=ZEQJFLRBPFWVDX-LIDVWUJLSA-N
Formula
C31H39N3O5
Mass
533.669
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 Tetrahydroisoquinolines 3-alkylindoles Indanes Anisoles Phenols Aralkylamines Alkyl aryl ethers Pyrroles Heteroaromatic compounds Trialkylamines Dialkylamines Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harmaline - Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Tetrahydroisoquinoline - Indane - Indole - Indole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Phenol - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary amine - Organoheterocyclic compound - Dialkyl ether - Azacycle - Secondary aliphatic amine - Ether - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - 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