Structure Information
Structure

Compound Identification

SMILES

C[C@]12CC[C@H]3[C@H](CCC4=CC(=O)NCC[C@]34C)[C@@H]1CC[C@@H]2C(OC1=CC=C(C=C1)N(CCCl)CCCl)C(O)=O

InChIKey

InChIKey=CCNXGXPJBFUROH-RYFYQUPESA-N

Formula

C31H42Cl2N2O4

Mass

577.59

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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 - Phenoxyacetate - Aminophenyl ether - Alkaloid or derivatives - Phenoxy compound - Nitrogen mustard - Phenol ether - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Azepine - Monocyclic benzene moiety - Benzenoid - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Amino acid or derivatives - Tertiary amine - Lactam - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl chloride - 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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