Compound Identification
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.C[C@H]1CN(C[C@@H](C)O1)C(=O)CN1CC(C)(C)OC[C@H]1C(=O)NC1=C2NC3=C(C=CN=C3)C2=CC(Cl)=C1.C[C@H]1CN(C[C@@H](C)O1)C(=O)CN1CC(C)(C)OC[C@H]1C(=O)NC1=C2NC3=C(C=CN=C3)C2=CC(Cl)=C1
InChIKey
InChIKey=IACBVKKQFGZKSU-QPLWDXDMSA-N
Formula
C56H70Cl2N10O14
Mass
1178.13
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
Alpha amino acid amides Indoles Morpholine carboxylic acids and derivatives N-arylamides Beta hydroxy acids and derivatives Sugar acids and derivatives Short-chain hydroxy acids and derivatives Alpha hydroxy acids and derivatives Aryl chlorides Benzenoids Dicarboxylic acids and derivatives Fatty acids and conjugates Monosaccharides Pyridines and derivatives Heteroaromatic compounds Pyrroles Tertiary carboxylic acid amides Secondary carboxylic acid amides Trialkylamines 1,2-diols Secondary alcohols Azacyclic compounds Dialkyl ethers Carboxylic acids Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Not available
Substituents
Beta-carboline - Alpha-amino acid amide - Alpha-amino acid or derivatives - Indole - Morpholine-3-carboxylic acid or derivatives - N-arylamide - Beta-hydroxy acid - Short-chain hydroxy acid - Sugar acid - Dicarboxylic acid or derivatives - Hydroxy acid - Alpha-hydroxy acid - Monosaccharide - Morpholine - Aryl halide - Aryl chloride - Oxazinane - Pyridine - Fatty acid - Benzenoid - Pyrrole - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - 1,2-diol - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Ether - Oxacycle - Dialkyl ether - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - 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