Compound Identification
SMILES
COC(=O)C1CC2=C(CN1C(=O)CSC1=NN=C(O1)C(N)CC(C)C)NC1=CC=CC=C21
InChIKey
InChIKey=GVRPERFGXZWKFM-UHFFFAOYSA-N
Formula
C22H27N5O4S
Mass
457.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
-
Subclass
Pyridoindoles
- Level 5 Beta carbolines
-
Subclass
Pyridoindoles
-
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
Alpha amino acid esters 3-alkylindoles Alkylarylthioethers Aralkylamines Benzenoids Tertiary carboxylic acid amides Pyrroles 1,3,4-oxadiazoles Methyl esters Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Beta-carboline - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Aryl thioether - Alkylarylthioether - Aralkylamine - Benzenoid - 1,3,4-oxadiazole - Azole - Oxadiazole - Pyrrole - Tertiary carboxylic acid amide - Methyl ester - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Azacycle - Oxacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Primary amine - Carbonyl group - Organic oxide - Amine - Hydrocarbon derivative - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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