Compound Identification
SMILES
COC1=C(Br)C=C2NC3=C(CCN4OCSC[C@@H](NC(=O)OC(C)(C)C)[C@@H]34)C2=C1
InChIKey
InChIKey=PMCLLMMCDZKGAM-QAPCUYQASA-N
Formula
C20H26BrN3O4S
Mass
484.41
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
3-alkylindoles Anisoles Alkyl aryl ethers Aryl bromides Pyrroles Heteroaromatic compounds Carbamate esters Oxacyclic compounds N-organohydroxylamines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta-carboline - 3-alkylindole - Indole - Anisole - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Pyrrole - Oxacycle - Ether - Azacycle - N-organohydroxylamine - Organohalogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen 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