Compound Identification
SMILES
I.CC(C)C1C(=O)C=C2C3CCC4CC5NCC(O5)C4(C)C3CCC12C
InChIKey
InChIKey=XXNYIEAQMSMVCQ-UHFFFAOYSA-N
Formula
C22H34INO2
Mass
471.423
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
16-oxosteroids Oxasteroids and derivatives Azasteroids and derivatives Naphthopyrans Naphthalenes Alkaloids and derivatives Azepanes Pyrans Oxanes Oxazolidines Hemiaminals Cyclic ketones Oxacyclic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Samamine skeleton - 16-oxosteroid - Oxosteroid - Azasteroid - 2-oxasteroid - Naphthopyran - Naphthalene - Alkaloid or derivatives - Azepane - Pyran - Oxane - Oxazolidine - Cyclic ketone - Hemiaminal - Ketone - Organoheterocyclic compound - Secondary aliphatic amine - Secondary amine - Azacycle - Oxacycle - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - 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