Compound Identification
SMILES
C[C@]12CCC3[C@@H](CCC4=CC(=O)NCC[C@]34C)C1CC[C@@H]2OC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl
InChIKey
InChIKey=KXMXWVJKEUSIIB-SSFHSIQLSA-N
Formula
C33H46Cl2N2O3
Mass
589.64
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 Azepines Fatty acid esters Secondary carboxylic acid amides Amino acids and derivatives Lactams 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 - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Azepine - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Tertiary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Alkyl chloride - Organic oxide - Amine - Hydrocarbon derivative - Alkyl halide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organohalogen compound - Organochloride - 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