Structure Information
Structure

Compound Identification

SMILES

C[C@]12CCC3[C@@H](CCC4CC(=O)NCC[C@]34C)C1CC[C@@H]2OC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl

InChIKey

InChIKey=IBKGSDVBEJZQSV-GCFFKVRXSA-N

Formula

C33H48Cl2N2O3

Mass

591.66

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Steroidal alkaloids

Intermediate Tree Nodes

Not available

Direct Parent

Samamine-type alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Samamine skeleton - Azasteroid - Alkaloid or derivatives - Nitrogen mustard - Caprolactam - Aniline or substituted anilines - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Azepane - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Tertiary amine - Amino acid or derivatives - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Alkyl chloride - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as samamine-type alkaloids. These are alkaloids with a structure that is based on the samamine skeleton, a tetracyclic compound consisting of and azepane ring fuse a saturated cyclopenta[a]naphthalene derivative.

External Descriptors

Not available

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