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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroidal alkaloids
- Level 5 Samamine-type alkaloids
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Subclass
Steroidal alkaloids
-
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 Tertiary alcohols Alpha-hydroxy ketones Secondary carboxylic acid amides Lactams Cyclic alcohols and derivatives Thiocyanates Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
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