Structure Information
Structure

Compound Identification

SMILES

[H][C@]12C[C@]3([H])[C@]4([H])C[C@@]([H])(O)[C@]5([H])CCNCC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])CC(=O)O2

InChIKey

InChIKey=FAOBWDLDASSTHV-SUGPMWQHSA-N

Formula

C21H33NO3

Mass

347.499

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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 - Azepane - Gamma butyrolactone - Cyclic alcohol - Tetrahydrofuran - Amino acid or derivatives - Carboxylic acid ester - Lactone - Secondary alcohol - Carboxylic acid derivative - Secondary aliphatic amine - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Hydrocarbon derivative - Organic oxide - Alcohol - Amine - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen 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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