Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)NCC[C@]34C)[C@@H]1C[C@@H](Br)C2=O
InChIKey
InChIKey=VYUWADBZOCXYQW-ODWBRZHOSA-N
Formula
C19H26BrNO2
Mass
380.326
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
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Subclass
Steroidal alkaloids
- Level 5 Samamine-type alkaloids
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Subclass
Steroidal alkaloids
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Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
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
Azasteroids and derivatives Alkaloids and derivatives Azepines Alpha-haloketones Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Samamine skeleton - Azasteroid - Alkaloid or derivatives - Azepine - Alpha-haloketone - Carboxamide group - Ketone - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organobromide - Organohalogen compound - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Alkyl halide - 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