Compound Identification
SMILES
COC(=O)C1C[C@]23CCO[C@H]2[C@@]2(C[C@@H]4C[C@]56CCO[C@H]5CCN5CC[C@]22C7=CC=CC(OC)=C7N[C@]42[C@H]65)CN2CC[C@@]4([C@H]32)C1=NC1=C4C=CC=C1
InChIKey
InChIKey=XFTJZSGSVFMRMM-KMGKMLRGSA-N
Formula
C42H48N4O5
Mass
688.869
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
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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
2,3-Cyclopentanoindolines Quinolizidines Quinolidines Azaspirodecane derivatives 3-alkylindoles Indolizidines Anisoles Secondary alkylarylamines Aralkylamines Alkyl aryl ethers Piperidines N-alkylpyrrolidines Tetrahydrofurans Methyl esters Trialkylamines Ketimines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta-carboline - 2,3-cyclopentanoindoline - Quinolidine - 3-alkylindole - Quinolizidine - Azaspirodecane - Indolizidine - Dihydroindole - Anisole - Aralkylamine - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Benzenoid - N-alkylpyrrolidine - Piperidine - Methyl ester - Tetrahydrofuran - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Ketimine - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Carbonyl group - Amine - 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