Structure Information
Structure

Compound Identification

SMILES

CC(=O)C1(O)C(CC2C3CCC4=CC(=O)NCCC4(C)C3CCC12C)SC#N

InChIKey

InChIKey=GTLFRUJCEXCPNB-UHFFFAOYSA-N

Formula

C22H30N2O3S

Mass

402.55

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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

Aliphatic heteropolycyclic compounds

Substituents

Samamine skeleton - Azasteroid - Alkaloid or derivatives - Azepine - Alpha-hydroxy ketone - Cyclic alcohol - Tertiary alcohol - Carboxamide group - Ketone - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocyanate - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Aliphatic 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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