Compound Identification
SMILES
COC(=O)C1=CNC=C2CN3CCC4=C(NC5=CC=CC=C45)C3C(=O)C(O)=C12
InChIKey
InChIKey=MBIQNOHCKIWJDK-UHFFFAOYSA-N
Formula
C21H19N3O4
Mass
377.4
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
-
Subclass
Pyridoindoles
- Level 5 Beta carbolines
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Subclass
Pyridoindoles
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Pyridoindoles
Intermediate Tree Nodes
Not available
Direct Parent
Beta carbolines
Alternative Parents
3-alkylindoles Aralkylamines Azepines Dihydropyridines Benzenoids Vinylogous amides Pyrroles Enoate esters Heteroaromatic compounds Methyl esters Amino acids and derivatives Trialkylamines Ketones Enamines Monocarboxylic acids and derivatives Dialkylamines Allylamines Enols Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta-carboline - 3-alkylindole - Indole - Azepine - Dihydropyridine - Aralkylamine - Benzenoid - Pyrrole - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Ketone - Secondary amine - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Allylamine - Enol - Enamine - Secondary aliphatic amine - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety.
External Descriptors
Not available