Compound Identification
SMILES
O[C@H]1[C@H]([C@@H]2C[C@@H](N3C[C@@]22CC\C=C/CCCCN[C@H]2[C@@]1(O)CC\C=C/CCCC3)C1=CN2C[C@]34CC\C=C/CCCCN[C@H]3[C@@]3(CC\C=C/CCCC2)O[C@H]3[C@H]([C@H]14)C1=NC=CC2=C1NC1=CC=CC=C21)[C@H]1NCCC2=C1NC1=CC=CC=C21
InChIKey
InChIKey=BCBIPSPQLRKISZ-WXMJOYLHSA-N
Formula
C72H94N8O3
Mass
1119.597
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 3-alkylindoles Tetrahydropyridines Aralkylamines Oxepanes Benzenoids Piperidines Pyrroles Tertiary alcohols Heteroaromatic compounds 1,2-diols Trialkylamines 1,2-aminoalcohols Secondary alcohols Cyclic alcohols and derivatives Allylamines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Dialkylamines Enamines Epoxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Pyridoindole - Beta-carboline - 3-alkylindole - Indole - Indole or derivatives - Tetrahydropyridine - Aralkylamine - Oxepane - Pyridine - Piperidine - Benzenoid - Pyrrole - Cyclic alcohol - Tertiary alcohol - Heteroaromatic compound - 1,2-diol - 1,2-aminoalcohol - Tertiary amine - Secondary alcohol - Tertiary aliphatic amine - Allylamine - Dialkyl ether - Secondary aliphatic amine - Enamine - Oxirane - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Alcohol - 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