Compound Identification
SMILES
COC(=O)[C@@H]1CC2=C(NC3=CC=CC=C23)[C@@H]2C[C@@H]3C=CO[C@@H](C)[C@@H]3C(=O)N12
InChIKey
InChIKey=JBNUHGNWZXFADU-IRBSAZDJSA-N
Formula
C21H22N2O4
Mass
366.417
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
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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
Alpha amino acid esters 3-alkylindoles Piperidinones Delta lactams Benzenoids Tertiary carboxylic acid amides Pyrroles Methyl esters Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Beta-carboline - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Delta-lactam - Piperidinone - Piperidine - Benzenoid - Heteroaromatic compound - Methyl ester - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Carboxylic acid ester - Lactam - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen 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