Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=C2CCNC3(CSC4C5C6N(C)C(CC7=CC(C)=C(OC)C(O)=C67)C(O)N5C(COC3=O)C3=C4C(OC(C)=O)=C(C)C4=C3OCO4)C2=C1

InChIKey

InChIKey=PKVRCIRHQMSYJX-UHFFFAOYSA-N

Formula

C39H43N3O11S

Mass

761.84

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzazocines

Intermediate Tree Nodes

Not available

Direct Parent

Benzazocines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzazocine - Tetrahydroisoquinoline - Alpha-amino acid or derivatives - Benzodioxole - Anisole - Alkyl aryl ether - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Dicarboxylic acid or derivatives - Piperazine - 1,4-diazinane - Hemiaminal - Lactone - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - Amino acid or derivatives - Acetal - Alkanolamine - Carboxylic acid derivative - Oxacycle - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Ether - Dialkylthioether - Thioether - Polyol - Secondary amine - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzazocines. These are organic compounds containing the benzazocine ring system, which consists of a benzene ring bound to an azocine ring.

External Descriptors

Not available

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