Compound Identification
SMILES
C[C@]12CC[C@H]3[C@H](CCC4=CC(=O)NCC[C@]34C)[C@@H]1CC[C@@H]2C(OC1=CC=C(C=C1)N(CCCl)CCCl)C(O)=O
InChIKey
InChIKey=CCNXGXPJBFUROH-RYFYQUPESA-N
Formula
C31H42Cl2N2O4
Mass
577.59
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
-
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 Phenoxyacetic acid derivatives Alkaloids and derivatives Aminophenyl ethers Phenoxy compounds Aniline and substituted anilines Dialkylarylamines Nitrogen mustard compounds Azepines Alkyl aryl ethers Secondary carboxylic acid amides Lactams Amino acids Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Alkyl chlorides Carbonyl compounds Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Samamine skeleton - Azasteroid - Phenoxyacetate - Aminophenyl ether - Alkaloid or derivatives - Phenoxy compound - Nitrogen mustard - Phenol ether - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Azepine - Monocyclic benzene moiety - Benzenoid - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Amino acid or derivatives - Tertiary amine - Lactam - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl chloride - 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