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
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 Indoles and derivatives Alkaloids and derivatives Azepanes Piperidines N-alkylpyrrolidines Gamma butyrolactones Tetrahydrofurans Hemiaminals Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
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