Compound Identification
SMILES
COC(=O)CC12N(CCC3=C1NC1=C3C=C(OC)C=C1)C(C(=O)OC)=C(C(=O)OC)C2=O
InChIKey
InChIKey=JJSUYIJIXDKNBE-UHFFFAOYSA-N
Formula
C22H22N2O8
Mass
442.424
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
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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
3-alkylindoles Alpha amino acids and derivatives Tricarboxylic acids and derivatives Pyrroline carboxylic acids Anisoles Alkyl aryl ethers Aralkylamines Vinylogous amides Pyrroles Methyl esters Enoate esters Heteroaromatic compounds Trialkylamines Ketones Azacyclic compounds Enamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta-carboline - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Tricarboxylic acid or derivatives - Anisole - Phenol ether - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Alkyl aryl ether - Aralkylamine - Benzenoid - Heteroaromatic compound - Pyrrole - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Pyrroline - Enoate ester - Methyl ester - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Ketone - Ether - Enamine - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen 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