Compound Identification
SMILES
[H][C@@]1(C[C@]2([H])C(OC(C)=O)=CO[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@@]2([H])C=C)NCCC2=C1NC1=CC=CC=C21
InChIKey
InChIKey=OXAGNIAQEYWXSM-JJEHOMFVSA-N
Formula
C27H34N2O9
Mass
530.574
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 O-glycosyl compounds 3-alkylindoles Aralkylamines Benzenoids Monosaccharides Oxanes Pyrroles Heteroaromatic compounds Enol esters Amino acids and derivatives Secondary alcohols Polyols Monocarboxylic acids and derivatives Dialkylamines Acetals Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - O-glycosyl compound - Glycosyl compound - 3-alkylindole - Indole or derivatives - Indole - Aralkylamine - Benzenoid - Monosaccharide - Oxane - Heteroaromatic compound - Enol ester - Pyrrole - Secondary alcohol - Carboxylic acid ester - Amino acid or derivatives - Acetal - Carboxylic acid derivative - Secondary aliphatic amine - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Secondary amine - Polyol - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Alcohol - Primary alcohol - Organonitrogen compound - Organooxygen compound - Organopnictogen 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