Compound Identification
SMILES
CCCCN1CC(=O)N2C[C@H](C3=C(NC4=CC=CC=C34)[C@@]2(C)C1=O)C1=C(OC)C(OC)=CC=C1
InChIKey
InChIKey=BKRXTAIWPPBZMF-PPHZAIPVSA-N
Formula
C27H31N3O4
Mass
461.562
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 Dimethoxybenzenes 2,5-dioxopiperazines Phenoxy compounds Anisoles Alkyl aryl ethers N-alkylpiperazines Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta-carboline - Alpha-amino acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - 3-alkylindole - Indole - Phenoxy compound - Anisole - Dioxopiperazine - Methoxybenzene - 2,5-dioxopiperazine - Phenol ether - Alkyl aryl ether - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Heteroaromatic compound - Pyrrole - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - 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