Compound Identification
SMILES
C[C@]12CCC3[C@@H](CCC4CC(=O)NCC[C@]34C)C1CC[C@@H]2OC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl
InChIKey
InChIKey=IBKGSDVBEJZQSV-GCFFKVRXSA-N
Formula
C33H48Cl2N2O3
Mass
591.66
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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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 Aniline and substituted anilines Nitrogen mustard compounds Dialkylarylamines Caprolactams Azepanes Fatty acid esters Secondary carboxylic acid amides Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Alkyl chlorides Organopnictogen compounds Organic oxides Organochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Samamine skeleton - Azasteroid - Alkaloid or derivatives - Nitrogen mustard - Caprolactam - Aniline or substituted anilines - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Azepane - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Tertiary amine - Amino acid or derivatives - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Alkyl chloride - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic 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