Structure Information
Structure

Compound Identification

SMILES

C[C@]12CC[C@H]3[C@@H](C[C@@]4(O)[C@@H]5CCN4CC[C@]35C)[C@@H]1C[C@@H]1OC(=O)C[C@H]21

InChIKey

InChIKey=KFGZZMBROBJWRH-KTNYHBKCSA-N

Formula

C21H31NO3

Mass

345.483

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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 - Indole or derivatives - Azepane - N-alkylpyrrolidine - Piperidine - Gamma butyrolactone - Tetrahydrofuran - Pyrrolidine - Cyclic alcohol - Lactone - Hemiaminal - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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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