Compound Identification
SMILES
O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C=C2)N2CCNCC2C2=CC=CC=C2C3)O[C@@H]([C@H]1O)C(O)=O
InChIKey
InChIKey=POUMXLOCFIVOFP-ABCFDMLSSA-N
Formula
C23H26N2O7
Mass
442.468
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzazepines
- Subclass Dibenzazepines
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Class
Benzazepines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzazepines
Subclass
Dibenzazepines
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzazepines
Alternative Parents
Phenolic glycosides O-glucuronides Hexoses Piperazinoazepines O-glycosyl compounds Dialkylarylamines Aralkylamines Azepines Beta hydroxy acids and derivatives Pyrans Benzenoids Piperazines Oxanes Secondary alcohols Amino acids Azacyclic compounds Dialkylamines Carboxylic acids Polyols Acetals Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzazepine - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Piperazino-azepine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Azepine - Beta-hydroxy acid - Aralkylamine - 1,4-diazinane - Hydroxy acid - Monosaccharide - Benzenoid - Oxane - Piperazine - Pyran - Secondary alcohol - Amino acid or derivatives - Tertiary amine - Amino acid - Secondary amine - Azacycle - Oxacycle - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Acetal - Organooxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Alcohol - Amine - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzazepines. These are compounds with two benzene rings connected by an azepine ring. Azepine is an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
External Descriptors
Not available